ethyl N-[4-(2-azanyl-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate sulfate

Systemtic Name: ethyl N-[4-(2-azanyl-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate sulfate Openeye Name: ethyl N-[4-(2-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate sulfate CAS Name: N-[4-(2-amino-5-methyl-6-phenanthridin-5-iumyl)phenyl]carbamic acid ethyl ester sulfate IUPAC Name: ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate sulfate Traditional Name: N-[4-(2-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamic acid ethyl ester sulfate Formula: C46H44N6O8S MolecularWeight: 840.94196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C23H21N3O2.H2O4S/c2*1-3-28-23(27)25-17-11-8-15(9-12-17)22-19-7-5-4-6-18(19)20-14-16(24)10-13-21(20)26(22)2;1-5(2,3)4/h2*4-14H,3,24H2,1-2H3;(H2,1,2,3,4)