2-(1,2-dimethylindol-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(1,2-dimethylindol-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(1,2-dimethylindol-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-oxo-acetamide CAS Name: 2-(1,2-dimethyl-3-indolyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-oxoacetamide IUPAC Name: 2-(1,2-dimethylindol-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-oxoacetamide Traditional Name: 2-(1,2-dimethylindol-3-yl)-2-keto-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C(=O)C2=C(N(C3=CC=CC=C32)C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C(=O)C2=C(N(C3=CC=CC=C32)C)C

InChI

InChI=1S/C21H29N3O2/c1-15-9-6-7-13-24(15)14-8-12-22-21(26)20(25)19-16(2)23(3)18-11-5-4-10-17(18)19/h4-5,10-11,15H,6-9,12-14H2,1-3H3,(H,22,26)/p+1/t15-/m0/s1