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

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-13-18-15(10-21(2,3)11-16(18)26)23-19(13)20(27)25-8-6-24(7-9-25)12-14-4-5-17(22)28-14/h4-5,23H,6-12H2,1-3H3/p+1