N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-(phenylmethyl)piperazin-1-ium-1-carboxamide

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-4-(phenylmethyl)piperazin-1-ium-1-carboxamide Openeye Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonyl-piperazin-1-ium-1-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-methylsulfonyl-4-(phenylmethyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonylpiperazin-1-ium-1-carboxamide Traditional Name: 4-benzyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-mesyl-piperazin-1-ium-1-carboxamide Formula: C26H31N6O3S+ MolecularWeight: 507.62774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CCN(CC1)CC2=CC=CC=C2)C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)[N+]1(CCN(CC1)CC2=CC=CC=C2)C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H30N6O3S/c1-36(34,35)32(15-13-30(14-16-32)19-23-5-3-2-4-6-23)26(33)29-12-11-25-18-28-21-31(25)20-24-9-7-22(17-27)8-10-24/h2-10,18,21H,11-16,19-20H2,1H3/p+1