(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N4O/c31-26(21-9-6-14-30(17-21)18-23-10-3-4-13-27-23)28-22-11-5-8-19(15-22)25-16-20-7-1-2-12-24(20)29-25/h1-5,7-8,10-13,15-16,21,29H,6,9,14,17-18H2,(H,28,31)/p+1/t21-/m0/s1