N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-chlorobenzyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H29ClN4O/c22-20-8-2-1-7-19(20)16-23-21(27)10-9-18-6-3-12-25(17-18)13-5-15-26-14-4-11-24-26/h1-2,4,7-8,11,14,18H,3,5-6,9-10,12-13,15-17H2,(H,23,27)/p+1/t18-/m1/s1