N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-indol-2-yl)phenyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-indol-2-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C26H30N5O+ MolecularWeight: 428.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)CCCN5C=CC=N5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)CCCN5C=CC=N5

InChI

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