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

Systemtic Name: 1-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-ethyl-quinazoline-2,4-dione Openeye Name: 1-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-ethyl-quinazoline-2,4-dione CAS Name: 1-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione IUPAC Name: 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione Traditional Name: 1-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-3-ethyl-quinazoline-2,4-quinone Formula: C24H34N5O4+ MolecularWeight: 456.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N5O4/c1-2-28-23(32)19-9-5-6-10-20(19)29(24(28)33)18-22(31)27-15-13-25(14-16-27)17-21(30)26-11-7-3-4-8-12-26/h5-6,9-10H,2-4,7-8,11-18H2,1H3/p+1