2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C)OC

InChI

InChI=1S/C18H29N3O5S/c1-25-16-8-7-15(13-17(16)26-2)21(27(3,23)24)14-18(22)19-9-6-12-20-10-4-5-11-20/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,19,22)/p+1