6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydrocarbostyril Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S/c25-21-9-6-17-16-19(7-8-20(17)22-21)29(26,27)24-12-10-23(11-13-24)14-15-28-18-4-2-1-3-5-18/h1-5,7-8,16H,6,9-15H2,(H,22,25)/p+1