ethyl 1-butyl-2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-butyl-2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 1-butyl-5-hydroxy-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C21H31N2O3+ MolecularWeight: 359.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCC3)O)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCC3)O)C(=O)OCC)C

InChI

InChI=1S/C21H30N2O3/c1-4-6-13-23-15(3)19(21(25)26-5-2)20-16(14-22-11-7-8-12-22)18(24)10-9-17(20)23/h9-10,24H,4-8,11-14H2,1-3H3/p+1