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

Systemtic Name: O3-ethyl O5-methyl 4-azanyl-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylate CAS Name: 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-[2-(10-phenothiazinyl)ethyl]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-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylate Traditional Name: 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C33H35N4O6S+ MolecularWeight: 615.7192

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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)CCN3C4=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)CCN3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C33H35N4O6S/c1-6-43-32(39)30-22(3)37(4,19-18-35-25-14-7-9-16-27(25)44-28-17-10-8-15-26(28)35)21(2)29(31(38)42-5)33(30,34)23-12-11-13-24(20-23)36(40)41/h7-17,20H,6,18-19,34H2,1-5H3/q+1