phenyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: phenyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-phenyl-methanone chloride CAS Name: phenyl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-phenyl-methanone chloride Formula: C18H21ClN2O MolecularWeight: 316.82514

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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/C18H20N2O.ClH/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16;/h1-10H,11-15H2;1H