2-[(3-methoxyphenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-methoxyphenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(3-methoxy-N-methylsulfonyl-anilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-methoxy-anilino)-N-(3-piperidin-1-ium-1-ylpropyl)acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O4S/c1-25-17-9-6-8-16(14-17)21(26(2,23)24)15-18(22)19-10-7-13-20-11-4-3-5-12-20/h6,8-9,14H,3-5,7,10-13,15H2,1-2H3,(H,19,22)/p+1