methyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(3,3-dimethylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C

Isomeric SMILES

CC1(CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=CC(=C3)OC)C(=O)OC)C

InChI

InChI=1S/C21H29N3O4/c1-21(2)9-5-10-24(13-21)11-8-17(25)23-18-15-7-6-14(27-3)12-16(15)22-19(18)20(26)28-4/h6-7,12,22H,5,8-11,13H2,1-4H3,(H,23,25)/p+1