N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c30-26(27-20-24-8-4-5-9-25(24)21-28-15-17-33-18-16-28)23-10-13-29(14-11-23)34(31,32)19-12-22-6-2-1-3-7-22/h1-9,12,19,23H,10-11,13-18,20-21H2,(H,27,30)/p+1/b19-12+