1-(4-ethanoylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethanoylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)isonipecotamide Formula: C22H34N3O4S+ MolecularWeight: 436.58806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-16(2)24-12-10-20(11-13-24)23-22(27)19-8-14-25(15-9-19)30(28,29)21-6-4-18(5-7-21)17(3)26/h4-7,16,19-20H,8-15H2,1-3H3,(H,23,27)/p+1