2-[(5R)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-oxidanylidene-piperidin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5R)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-oxidanylidene-piperidin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5R)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-oxo-1-piperidyl]ethyl-dimethyl-ammonium CAS Name: 2-[(5R)-5-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-oxo-1-piperidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(5R)-5-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-oxopiperidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-5-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-keto-piperidino]ethyl-dimethyl-ammonium Formula: C21H33ClN4O2+2 MolecularWeight: 408.96532

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CC(CCC1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCN1C[C@@H](CCC1=O)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H31ClN4O2/c1-23(2)8-11-26-16-18(6-7-20(26)27)21(28)25-12-9-24(10-13-25)15-17-4-3-5-19(22)14-17/h3-5,14,18H,6-13,15-16H2,1-2H3/p+2/t18-/m1/s1