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

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H29N5O/c32-26(22-9-4-13-30(19-22)14-6-16-31-15-5-12-27-31)28-23-10-3-8-20(17-23)25-18-21-7-1-2-11-24(21)29-25/h1-3,5,7-8,10-12,15,17-18,22,29H,4,6,9,13-14,16,19H2,(H,28,32)/p+1/t22-/m0/s1