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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propionamide Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN4O/c1-24-14-18(13-23-24)15-25-9-7-16(8-10-25)5-6-20(26)22-12-17-3-2-4-19(21)11-17/h2-4,11,13-14,16H,5-10,12,15H2,1H3,(H,22,26)/p+1