(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: (4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C24H27N3OS+2 MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)C[NH+](CCC3=CC=CC=C3)CC4=CC=C(S4)C

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)C[NH+](CCC3=CC=CC=C3)CC4=CC=C(S4)C

InChI

InChI=1S/C24H25N3OS/c1-18-7-6-10-23-25-21(15-24(28)27(18)23)16-26(17-22-12-11-19(2)29-22)14-13-20-8-4-3-5-9-20/h3-12,15H,13-14,16-17H2,1-2H3/p+2