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

Systemtic Name: [4-(3-chlorophenyl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(3-chlorophenyl)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(3-chlorophenyl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(3-chlorophenyl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(3-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=C(C=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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