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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C27H29N4O+ MolecularWeight: 425.54536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-21-12-13-25-28-24(18-26(32)31(25)19-21)20-29-14-16-30(17-15-29)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18-19,27H,14-17,20H2,1H3/p+1