1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-4-23-11-9-19(10-12-23)22-21(25)18-7-13-24(14-8-18)28(26,27)20-6-5-16(2)17(3)15-20/h5-6,15,18-19H,4,7-14H2,1-3H3,(H,22,25)/p+1