N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H35N3O3S/c1-20-8-5-6-15-25(20)16-7-14-24-23(27)22-11-17-26(18-12-22)30(28,29)19-13-21-9-3-2-4-10-21/h2-4,9-10,13,19-20,22H,5-8,11-12,14-18H2,1H3,(H,24,27)/p+1/b19-13+/t20-/m0/s1