(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-ammonium CAS Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylammonium IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylazanium Traditional Name: (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-(4-ethoxy-3-methoxy-benzyl)-ethyl-ammonium Formula: C21H26ClN3O3+2 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-4-24(12-15-6-8-18(28-5-2)19(10-15)27-3)14-17-11-21(26)25-13-16(22)7-9-20(25)23-17/h6-11,13H,4-5,12,14H2,1-3H3/p+2