(3-chlorophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chlorophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chlorophenyl)methanone CAS Name: (3-chlorophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chlorophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chlorophenyl)methanone Formula: C18H20ClN2O+ MolecularWeight: 315.8172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1