1-[4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S/c26-17(18-4-3-13-29-18)6-7-20(27)24-11-9-23(10-12-24)15-16-14-21(28)25-8-2-1-5-19(25)22-16/h1-5,8,13-14H,6-7,9-12,15H2/p+1