1-(2,3-dihydroindol-1-yl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-imidazol-1-yl-butane-1,4-dione

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-imidazol-1-yl-butane-1,4-dione Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-imidazol-1-yl-1-indolin-1-yl-butane-1,4-dione CAS Name: 1-(2,3-dihydroindol-1-yl)-4-(4-ethyl-1-piperazin-4-iumyl)-2-(1-imidazolyl)butane-1,4-dione IUPAC Name: 1-(2,3-dihydroindol-1-yl)-4-(4-ethylpiperazin-4-ium-1-yl)-2-imidazol-1-ylbutane-1,4-dione Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-imidazol-1-yl-1-indolin-1-yl-butane-1,4-dione Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CC(C(=O)N2CCC3=CC=CC=C32)N4C=CN=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CC(C(=O)N2CCC3=CC=CC=C32)N4C=CN=C4

InChI

InChI=1S/C21H27N5O2/c1-2-23-11-13-24(14-12-23)20(27)15-19(25-10-8-22-16-25)21(28)26-9-7-17-5-3-4-6-18(17)26/h3-6,8,10,16,19H,2,7,9,11-15H2,1H3/p+1