methyl 5-methyl-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-6-7-16-15(11-13)18(19(21-16)20(25)26-3)22-17(24)8-10-23-9-4-5-14(2)12-23/h6-7,11,14,21H,4-5,8-10,12H2,1-3H3,(H,22,24)/p+1/t14-/m0/s1