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

Systemtic Name: 3-ethyl-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinazoline-2,4-dione Openeye Name: 3-ethyl-1-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]quinazoline-2,4-dione CAS Name: 3-ethyl-1-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]quinazoline-2,4-dione IUPAC Name: 3-ethyl-1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]quinazoline-2,4-dione Traditional Name: 3-ethyl-1-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]quinazoline-2,4-quinone Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O3/c1-2-30-26(33)23-12-5-6-13-24(23)31(27(30)34)19-25(32)29-16-14-28(15-17-29)18-21-10-7-9-20-8-3-4-11-22(20)21/h3-13H,2,14-19H2,1H3/p+1