4-[4-(diphenylmethyl)piperazin-1-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-(4-benzhydrylpiperazino)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C30H34N5+ MolecularWeight: 464.62446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H33N5/c1-3-11-24(12-4-1)29(25-13-5-2-6-14-25)34-19-21-35(22-20-34)30-26-15-7-8-16-27(26)31-28(32-30)23-33-17-9-10-18-33/h1-8,11-16,29H,9-10,17-23H2/p+1