7-chloranyl-2-[[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(m-tolylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(3-methylbenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4O/c1-15-3-2-4-16(11-15)13-25-7-9-26(10-8-25)14-20-23-19-12-17(22)5-6-18(19)21(27)24-20/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,24,27)/p+1