(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N5O/c30-24(19-7-4-12-29(15-19)16-21-10-11-25-28-21)26-20-8-3-6-17(13-20)23-14-18-5-1-2-9-22(18)27-23/h1-3,5-6,8-11,13-14,19,27H,4,7,12,15-16H2,(H,25,28)(H,26,30)/p+1/t19-/m0/s1