[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H20ClN2O+ MolecularWeight: 315.8172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN2O/c1-14-7-8-16(19)13-17(14)20-9-11-21(12-10-20)18(22)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3/p+1