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

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-methyl-quinazolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-methylquinazolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-methyl-quinazolin-4-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-21-28-25-15-9-8-14-24(25)27(32)31(21)20-29-16-18-30(19-17-29)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-20H2,1H3/p+1