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

Systemtic Name: N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)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-veratrylpiperazin-4-ium-1-yl)ethyl]thiophene-2-carboxamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C27H31N3O4S/c1-33-23-11-10-21(18-24(23)34-2)19-29-12-14-30(15-13-29)27(32)22(17-20-7-4-3-5-8-20)28-26(31)25-9-6-16-35-25/h3-11,16,18,22H,12-15,17,19H2,1-2H3,(H,28,31)/p+1/t22-/m0/s1