3-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]quinoline-8-sulfonamide Traditional Name: 3-methyl-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]quinoline-8-sulfonamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-15-11-17-5-4-6-18(20(17)22-12-15)27(25,26)23-14-16-7-8-19(21-13-16)24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10,14H2,1H3/p+1