4-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)quinazolin-3-ium

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-propan-2-yloxyphenyl)quinazolin-3-ium Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-2-(4-isopropoxyphenyl)quinazolin-3-ium CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-2-(4-propan-2-yloxyphenyl)quinazolin-3-ium IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-2-(4-propan-2-yloxyphenyl)quinazolin-3-ium Traditional Name: 4-(4-benzhydrylpiperazino)-2-(4-isopropoxyphenyl)quinazolin-3-ium Formula: C34H35N4O+ MolecularWeight: 515.6679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=[NH+]2)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=[NH+]2)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H34N4O/c1-25(2)39-29-19-17-28(18-20-29)33-35-31-16-10-9-15-30(31)34(36-33)38-23-21-37(22-24-38)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-20,25,32H,21-24H2,1-2H3/p+1