N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3S)-1-(4-acetamidobenzyl)piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O2/c1-17(29)26-21-10-8-18(9-11-21)15-28-12-4-5-19(16-28)14-25-24(30)23-13-20-6-2-3-7-22(20)27-23/h2-3,6-11,13,19,27H,4-5,12,14-16H2,1H3,(H,25,30)(H,26,29)/p+1/t19-/m0/s1