N-[(2R)-1-oxidanylidene-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-1-oxidanylidene-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-1-oxo-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-1-oxo-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-benzyl-2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O3S/c30-25(24-12-7-19-33-24)27-23(20-21-8-3-1-4-9-21)26(31)29-15-13-28(14-16-29)17-18-32-22-10-5-2-6-11-22/h1-12,19,23H,13-18,20H2,(H,27,30)/p+1/t23-/m1/s1