3-butyl-2-oxidanidyl-5-(phenylsulfonyl)pyrido[4,3-b]indol-2-ium

Systemtic Name: 3-butyl-2-oxidanidyl-5-(phenylsulfonyl)pyrido[4,3-b]indol-2-ium Openeye Name: 5-(benzenesulfonyl)-3-butyl-2-oxido-pyrido[4,3-b]indol-2-ium CAS Name: 5-(benzenesulfonyl)-3-butyl-2-oxidopyrido[4,3-b]indol-2-ium IUPAC Name: 5-(benzenesulfonyl)-3-butyl-2-oxidopyrido[4,3-b]indol-2-ium Traditional Name: 5-besyl-3-butyl-2-oxido-pyrid[4,3-b]indol-2-ium Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=C2C3=CC=CC=C3N(C2=C1)S(=O)(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCCC1=[N+](C=C2C3=CC=CC=C3N(C2=C1)S(=O)(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H20N2O3S/c1-2-3-9-16-14-21-19(15-22(16)24)18-12-7-8-13-20(18)23(21)27(25,26)17-10-5-4-6-11-17/h4-8,10-15H,2-3,9H2,1H3