methyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(2R)-2-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2R)-2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-carbethoxypiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C22H30N3O5+ MolecularWeight: 416.4907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C22H29N3O5/c1-5-30-21(27)15-8-10-25(11-9-15)14(3)20(26)24-18-16-12-13(2)6-7-17(16)23-19(18)22(28)29-4/h6-7,12,14-15,23H,5,8-11H2,1-4H3,(H,24,26)/p+1/t14-/m1/s1