2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one CAS Name: 2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Formula: C24H37N4O3+ MolecularWeight: 429.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H36N4O3/c1-17-21-18(14-24(2,3)15-19(21)29)25-22(17)23(31)28-12-10-26(11-13-28)16-20(30)27-8-6-4-5-7-9-27/h25H,4-16H2,1-3H3/p+1