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

Systemtic Name: N-methyl-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-methyl-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-methyl-3-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-methyl-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-benzyl-N-methyl-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propionamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O/c1-23(15-19-6-4-3-5-7-19)21(26)9-8-18-10-12-25(13-11-18)17-20-14-22-24(2)16-20/h3-7,14,16,18H,8-13,15,17H2,1-2H3/p+1