2-[(1R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C22H26N4O/c1-15-7-6-10-20(16(15)2)26-13-11-25(12-14-26)17(3)21-23-19-9-5-4-8-18(19)22(27)24-21/h4-10,17H,11-14H2,1-3H3,(H,23,24,27)/p+1/t17-/m1/s1