N-(2,3-dimethylphenyl)-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)C3=C(NC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)C3=C(NC4=CC=CC=C43)C)C

InChI

InChI=1S/C25H30N4O2/c1-17-7-6-10-21(18(17)2)27-24(31)16-29-13-11-28(12-14-29)15-23(30)25-19(3)26-22-9-5-4-8-20(22)25/h4-10,26H,11-16H2,1-3H3,(H,27,31)/p+1