ethyl 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C20H27N3O3/c1-3-26-20(25)19-18(15-8-4-5-9-16(15)21-19)22-17(24)10-12-23-11-6-7-14(2)13-23/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3,(H,22,24)/p+1/t14-/m0/s1