O3-ethyl O5-methyl 4-azanyl-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 4-azanyl-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate CAS Name: 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-[4-(10-phenothiazinyl)butyl]pyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate Traditional Name: 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C35H39N4O6S+ MolecularWeight: 643.77236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](C(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)OC)C)(C)CCCCN3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CCOC(=O)C1=C([N+](C(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)OC)C)(C)CCCCN3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C35H39N4O6S/c1-6-45-34(41)32-24(3)39(4,23(2)31(33(40)44-5)35(32,36)25-14-13-15-26(22-25)38(42)43)21-12-11-20-37-27-16-7-9-18-29(27)46-30-19-10-8-17-28(30)37/h7-10,13-19,22H,6,11-12,20-21,36H2,1-5H3/q+1