7-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H23N5O+2 MolecularWeight: 337.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5O/c1-15-5-6-18-21-16(12-19(25)24(18)13-15)14-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12-13H,8-11,14H2,1H3/p+2