(3-chloranyl-4-methoxy-phenyl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4-methoxy-phenyl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4-methoxyphenyl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4-methoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4-methoxy-phenyl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3)Cl

InChI

InChI=1S/C19H22ClN3O2/c1-25-18-6-5-15(14-17(18)20)19(24)23-12-10-22(11-13-23)9-7-16-4-2-3-8-21-16/h2-6,8,14H,7,9-13H2,1H3/p+1