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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-1H-quinazolin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-1H-quinazolin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-1H-quinazolin-4-one Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H21N5O/c20-15-7-5-14(6-8-15)13-23-9-11-24(12-10-23)19-21-17-4-2-1-3-16(17)18(25)22-19/h1-8H,9-13,20H2,(H,21,22,25)/p+1