ethyl 5-methoxy-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C21H29N3O4/c1-4-28-21(26)20-19(16-12-15(27-3)7-8-17(16)22-20)23-18(25)9-11-24-10-5-6-14(2)13-24/h7-8,12,14,22H,4-6,9-11,13H2,1-3H3,(H,23,25)/p+1/t14-/m0/s1