N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-quinoline-8-sulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-quinoline-8-sulfonamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-methyl-8-quinolinesulfonamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methylquinoline-8-sulfonamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-methyl-quinoline-8-sulfonamide Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-16-13-18-3-2-4-21(22(18)24-14-16)29(27,28)25-20-9-11-26(12-10-20)15-17-5-7-19(23)8-6-17/h2-8,13-14,20,25H,9-12,15H2,1H3/p+1