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

Systemtic Name: 1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 3-benzyl-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]quinazoline-2,4-dione CAS Name: 1-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 3-benzyl-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]quinazoline-2,4-dione Traditional Name: 3-benzyl-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]quinazoline-2,4-quinone Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-2-24-12-14-25(15-13-24)21(28)17-26-20-11-7-6-10-19(20)22(29)27(23(26)30)16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/p+1