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

Systemtic Name: ethyl 1-butyl-2-methyl-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 1-butyl-5-hydroxy-2-methyl-4-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 1-butyl-5-hydroxy-2-methyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCCC3)O)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2C[NH+]3CCCCC3)O)C(=O)OCC)C

InChI

InChI=1S/C22H32N2O3/c1-4-6-14-24-16(3)20(22(26)27-5-2)21-17(19(25)11-10-18(21)24)15-23-12-8-7-9-13-23/h10-11,25H,4-9,12-15H2,1-3H3/p+1