N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-4-yl]ethyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide CAS Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-4-piperidinyl]ethyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-methyl-N-[(1R)-2-(2-methylphenyl)-1-[1-(2-piperidin-1-ium-1-ylacetyl)piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide Traditional Name: N-methyl-N-[(1R)-2-(o-tolyl)-1-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]ethyl]-2-pyrazol-1-yl-acetamide Formula: C27H40N5O2+ MolecularWeight: 466.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C2CCN(CC2)C(=O)C[NH+]3CCCCC3)N(C)C(=O)CN4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[C@H](C2CCN(CC2)C(=O)C[NH+]3CCCCC3)N(C)C(=O)CN4C=CC=N4

InChI

InChI=1S/C27H39N5O2/c1-22-9-4-5-10-24(22)19-25(29(2)26(33)21-32-16-8-13-28-32)23-11-17-31(18-12-23)27(34)20-30-14-6-3-7-15-30/h4-5,8-10,13,16,23,25H,3,6-7,11-12,14-15,17-21H2,1-2H3/p+1/t25-/m1/s1