1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-ethyl-quinazoline-2,4-dione

Systemtic Name: 1-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-ethyl-quinazoline-2,4-dione Openeye Name: 1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-ethyl-quinazoline-2,4-dione CAS Name: 1-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione IUPAC Name: 1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-ethylquinazoline-2,4-dione Traditional Name: 1-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-ethyl-quinazoline-2,4-quinone Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-2-32-28(35)24-15-9-10-16-25(24)33(29(32)36)21-26(34)30-17-19-31(20-18-30)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,27H,2,17-21H2,1H3/p+1