4-[(1R)-2-azanyl-1-(4-chlorophenyl)-2-oxidanylidene-ethyl]-N-propan-2-yl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1R)-2-azanyl-1-(4-chlorophenyl)-2-oxidanylidene-ethyl]-N-propan-2-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxo-ethyl]-N-isopropyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-N-propan-2-yl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-N-propan-2-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-2-amino-1-(4-chlorophenyl)-2-keto-ethyl]-N-isopropyl-piperazin-4-ium-1-carboxamide Formula: C16H24ClN4O2+ MolecularWeight: 339.84036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)Cl)C(=O)N

Isomeric SMILES

CC(C)NC(=O)N1CC[NH+](CC1)[C@H](C2=CC=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C16H23ClN4O2/c1-11(2)19-16(23)21-9-7-20(8-10-21)14(15(18)22)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H2,18,22)(H,19,23)/p+1/t14-/m1/s1