7-chloranyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H28ClN4O+ MolecularWeight: 411.94762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN4O/c1-16(2)18-5-3-17(4-6-18)14-27-9-11-28(12-10-27)15-22-25-21-13-19(24)7-8-20(21)23(29)26-22/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,25,26,29)/p+1