1-[(E)-2-phenylethenyl]sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H34N3O3S+ MolecularWeight: 468.63146

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S/c30-26(27-25-13-16-28(17-14-25)21-23-9-5-2-6-10-23)24-11-18-29(19-12-24)33(31,32)20-15-22-7-3-1-4-8-22/h1-10,15,20,24-25H,11-14,16-19,21H2,(H,27,30)/p+1/b20-15+