2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[methyl-[(E)-styryl]sulfonyl-amino]acetamide CAS Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[methyl-[(E)-styryl]sulfonyl-amino]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-25(30(28,29)17-14-20-8-4-2-5-9-20)19-23(27)24-22-12-15-26(16-13-22)18-21-10-6-3-7-11-21/h2-11,14,17,22H,12-13,15-16,18-19H2,1H3,(H,24,27)/p+1/b17-14+