3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide Traditional Name: 3-methyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]quinoline-8-sulfonamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-18-14-21-6-5-7-22(23(21)24-15-18)29(27,28)25-16-19-8-10-20(11-9-19)17-26-12-3-2-4-13-26/h5-11,14-15,25H,2-4,12-13,16-17H2,1H3/p+1