3-(3-chloranyl-4-methyl-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C19H23ClN3O+ MolecularWeight: 344.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Cl

InChI

InChI=1S/C19H22ClN3O/c1-15-5-6-16(14-17(15)20)7-8-19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-6,9,14H,7-8,10-13H2,1H3/p+1