N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propanamide CAS Name: N-[2-[1-(1H-indol-2-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2,2-dimethyl-propionamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C22H29N5O/c1-22(2,3)21(28)25-20-8-11-23-27(20)18-9-12-26(13-10-18)15-17-14-16-6-4-5-7-19(16)24-17/h4-8,11,14,18,24H,9-10,12-13,15H2,1-3H3,(H,25,28)/p+1