methyl 3-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H23N3O3/c1-12-6-5-9-21(10-12)11-15(22)20-16-13-7-3-4-8-14(13)19-17(16)18(23)24-2/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3,(H,20,22)/p+1/t12-/m0/s1