2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-phenyl-4aH-quinazolin-3-ium-4-one CAS Name: 2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-phenyl-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-3-phenyl-4aH-quinazolin-3-ium-4-one Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N3O2S/c1-16-9-8-10-17(2)25(16)21(27)15-29-23-24-20-14-7-6-13-19(20)22(28)26(23)18-11-4-3-5-12-18/h3-7,11-14,16-17,19H,8-10,15H2,1-2H3/q+1