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

Systemtic Name: ethanesulfonate; ethyl N-[4-(2-azanyl-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate Openeye Name: ethanesulfonate; ethyl N-[4-(2-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamate CAS Name: N-[4-(2-amino-5-methyl-6-phenanthridin-5-iumyl)phenyl]carbamic acid ethyl ester; ethanesulfonate IUPAC Name: ethanesulfonate; ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate Traditional Name: N-[4-(2-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]carbamic acid ethyl ester esylate Formula: C25H27N3O5S MolecularWeight: 481.56398

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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.CCS(=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.CCS(=O)(=O)[O-]

InChI

InChI=1S/C23H21N3O2.C2H6O3S/c1-3-28-23(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;1-2-6(3,4)5/h4-14H,3,24H2,1-2H3;2H2,1H3,(H,3,4,5)