methyl 3-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-1,5-dimethyl-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]ethanoylamino]-1,5-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-1,5-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-[(2R)-2-ethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1,5-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-1,5-dimethylindole-2-carboxylate Traditional Name: 3-[[2-[(2R)-2-ethylpiperidin-1-ium-1-yl]acetyl]amino]-1,5-dimethyl-indole-2-carboxylic acid methyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)NC2=C(N(C3=C2C=C(C=C3)C)C)C(=O)OC

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC(=O)NC2=C(N(C3=C2C=C(C=C3)C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O3/c1-5-15-8-6-7-11-24(15)13-18(25)22-19-16-12-14(2)9-10-17(16)23(3)20(19)21(26)27-4/h9-10,12,15H,5-8,11,13H2,1-4H3,(H,22,25)/p+1/t15-/m1/s1