2-[[(2R)-4-methyl-2-pyrrolidin-1-yl-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-yl-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-yl-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2R)-4-methyl-2-(1-pyrrolidinyl)pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2R)-4-methyl-2-pyrrolidin-1-ylpentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2R)-4-methyl-2-pyrrolidino-pentyl]amino]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C(=O)[N+]2=CC=CC=C2N1)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C18H25N5O3/c1-13(2)11-14(21-8-5-6-9-21)12-19-17-16(23(25)26)18(24)22-10-4-3-7-15(22)20-17/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3,(H,19,24)/p+1/t14-/m1/s1