4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(3,4-dichlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Formula: C19H21Cl2N4O2+ MolecularWeight: 408.30164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2N4O2/c20-15-7-6-14(12-16(15)21)23-19(27)25-10-8-24(9-11-25)17(18(22)26)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2,(H2,22,26)(H,23,27)/p+1/t17-/m1/s1