3-[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methylquinazolin-4-one Traditional Name: 3-[4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C

InChI

InChI=1S/C29H30N4O3/c1-20-8-13-27(36-3)23(18-20)19-31-14-16-32(17-15-31)28(34)22-9-11-24(12-10-22)33-21(2)30-26-7-5-4-6-25(26)29(33)35/h4-13,18H,14-17,19H2,1-3H3/p+1