N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

InChI

InChI=1S/C20H31N3O3S/c1-4-13-23(27(3,25)26)19-8-6-18(7-9-19)20(24)21-12-5-14-22-15-10-17(2)11-16-22/h4,6-9,17H,1,5,10-16H2,2-3H3,(H,21,24)/p+1