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

Systemtic Name: [3-(4-chlorophenyl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [3-(4-chlorophenyl)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [3-(4-chlorophenyl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-(4-chlorophenyl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [3-(4-chlorophenyl)phenyl]-piperazin-4-ium-1-yl-methanone Formula: C17H18ClN2O+ MolecularWeight: 301.79062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O/c18-16-6-4-13(5-7-16)14-2-1-3-15(12-14)17(21)20-10-8-19-9-11-20/h1-7,12,19H,8-11H2/p+1