(4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-dimethylaminophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O/c1-20(2)16-8-6-15(7-9-16)18(23)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h3-10H,11-14H2,1-2H3/p+1