1-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-3-propyl-quinazoline-2,4-dione

Systemtic Name: 1-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]-3-propyl-quinazoline-2,4-dione Openeye Name: 1-[(1R)-1-(4-ethylpiperazin-4-ium-1-carbonyl)propyl]-3-propyl-quinazoline-2,4-dione CAS Name: 1-[(2R)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxobutan-2-yl]-3-propylquinazoline-2,4-dione IUPAC Name: 1-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxobutan-2-yl]-3-propylquinazoline-2,4-dione Traditional Name: 1-[(1R)-1-(4-ethylpiperazin-4-ium-1-carbonyl)propyl]-3-propyl-quinazoline-2,4-quinone Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N(C1=O)C(CC)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N(C1=O)[C@H](CC)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C21H30N4O3/c1-4-11-24-19(26)16-9-7-8-10-18(16)25(21(24)28)17(5-2)20(27)23-14-12-22(6-3)13-15-23/h7-10,17H,4-6,11-15H2,1-3H3/p+1/t17-/m1/s1