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

Systemtic Name: 2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O/c1-17(2)19-9-7-18(8-10-19)15-26-11-13-27(14-12-26)16-22-24-21-6-4-3-5-20(21)23(28)25-22/h3-10,17H,11-16H2,1-2H3,(H,24,25,28)/p+1