1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)isonipecotamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCCC3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-5-6-19(17(2)15-16)27(25,26)23-12-7-18(8-13-23)20(24)21-9-14-22-10-3-4-11-22/h5-6,15,18H,3-4,7-14H2,1-2H3,(H,21,24)/p+1