2-[[4-(3,4-dipropoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(3,4-dipropoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(3,4-dipropoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(3,4-dipropoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3,4-dipropoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3,4-dipropoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C26H34N4O4+2 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)OCCC

InChI

InChI=1S/C26H32N4O4/c1-3-15-33-22-9-8-20(17-23(22)34-16-4-2)26(32)29-13-11-28(12-14-29)19-21-18-25(31)30-10-6-5-7-24(30)27-21/h5-10,17-18H,3-4,11-16,19H2,1-2H3/p+2