3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-2-methyl-quinazolin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-2-methyl-quinazolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-methoxy-2-methyl-quinazolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-2-methyl-4-quinazolinone IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-methoxy-2-methylquinazolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-methoxy-2-methyl-quinazolin-4-one Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=O)N1C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=O)N1C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2/c1-21-29-26-14-13-24(34-2)19-25(26)28(33)32(21)20-30-15-17-31(18-16-30)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,27H,15-18,20H2,1-2H3/p+1