2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-[(4-ethylpiperazino)methyl]benzyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2CNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2CNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-2-25-11-13-26(14-12-25)16-18-8-4-3-7-17(18)15-23-21-20(28(30)31)22(29)27-10-6-5-9-19(27)24-21/h3-10H,2,11-16H2,1H3,(H,23,29)/p+1