N-[2-[1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-(1H-imidazol-3-ium-2-ylmethyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-(1H-imidazol-3-ium-2-ylmethyl)-4-piperidinyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-(1H-imidazol-3-ium-2-ylmethyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=[NH+]C=CN4

Isomeric SMILES

C1CN(CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=[NH+]C=CN4

InChI

InChI=1S/C21H26N6O/c28-21(7-6-17-4-2-1-3-5-17)25-20-8-11-24-27(20)18-9-14-26(15-10-18)16-19-22-12-13-23-19/h1-5,8,11-13,18H,6-7,9-10,14-16H2,(H,22,23)(H,25,28)/p+1