2-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)N3CC[NH+](CC3)CC(=O)NCC=C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)N3CC[NH+](CC3)CC(=O)NCC=C

InChI

InChI=1S/C21H28N4O2/c1-4-9-22-19(26)14-24-10-12-25(13-11-24)16(3)21(27)20-15(2)23-18-8-6-5-7-17(18)20/h4-8,16,23H,1,9-14H2,2-3H3,(H,22,26)/p+1/t16-/m0/s1