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

Systemtic Name: ethyl 2-methyl-1-(3-methylphenyl)-5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-1-(m-tolyl)-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-(3-methylphenyl)-4-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-(m-tolyl)-4-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC=CC(=C4)C)C

InChI

InChI=1S/C25H30N2O3/c1-4-30-25(29)23-18(3)27(19-10-8-9-17(2)15-19)21-11-12-22(28)20(24(21)23)16-26-13-6-5-7-14-26/h8-12,15,28H,4-7,13-14,16H2,1-3H3/p+1