N-[(3-chlorophenyl)methyl]-3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-4-yl]propionamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H29ClN4O/c26-23-6-1-4-21(16-23)18-27-25(31)9-8-20-10-14-29(15-11-20)19-22-5-2-7-24(17-22)30-13-3-12-28-30/h1-7,12-13,16-17,20H,8-11,14-15,18-19H2,(H,27,31)/p+1