N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c1-20-8-5-6-11-22(20)19-28-13-15-29(16-14-28)26(31)23(18-21-9-3-2-4-10-21)27-25(30)24-12-7-17-32-24/h2-12,17,23H,13-16,18-19H2,1H3,(H,27,30)/p+1/t23-/m0/s1