methyl 3-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[(2R)-1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-17(28-14-12-19(13-15-28)16-18-8-4-3-5-9-18)24(29)27-22-20-10-6-7-11-21(20)26-23(22)25(30)31-2/h3-11,17,19,26H,12-16H2,1-2H3,(H,27,29)/p+1/t17-/m1/s1