1-(3,4-dimethylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)isonipecotamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C)C

InChI

InChI=1S/C22H35N3O3S/c1-16(2)24-11-9-20(10-12-24)23-22(26)19-7-13-25(14-8-19)29(27,28)21-6-5-17(3)18(4)15-21/h5-6,15-16,19-20H,7-14H2,1-4H3,(H,23,26)/p+1