4-[methylsulfonyl(prop-2-enyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[methylsulfonyl(prop-2-enyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[methylsulfonyl(prop-2-enyl)amino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[methylsulfonyl(prop-2-enyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C18H27N3O3S/c1-3-12-21(25(2,23)24)17-9-7-16(8-10-17)18(22)19-11-6-15-20-13-4-5-14-20/h3,7-10H,1,4-6,11-15H2,2H3,(H,19,22)/p+1