methyl 3-[[(2S)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(2S)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2S)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(3,3-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(3,3-dimethylpiperidin-1-ium-1-yl)propanoyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)[NH+]3CCCC(C3)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)[C@H](C)[NH+]3CCCC(C3)(C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O3/c1-13-7-8-16-15(11-13)17(18(22-16)20(26)27-5)23-19(25)14(2)24-10-6-9-21(3,4)12-24/h7-8,11,14,22H,6,9-10,12H2,1-5H3,(H,23,25)/p+1/t14-/m0/s1