[4-(4-methyl-6-piperidin-1-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(4-methyl-6-piperidin-1-yl-pyrimidin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-methyl-6-(1-piperidyl)pyrimidin-1-ium-2-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-methyl-6-(1-piperidinyl)-2-pyrimidin-1-iumyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(4-methyl-6-piperidin-1-ylpyrimidin-1-ium-2-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(4-methyl-6-piperidino-pyrimidin-1-ium-2-yl)piperazino]-phenyl-methanone Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H27N5O/c1-17-16-19(24-10-6-3-7-11-24)23-21(22-17)26-14-12-25(13-15-26)20(27)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3/p+1