N-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,1-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N,1-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide Traditional Name: N,1-dimethyl-N-[(1S)-1-(1-p-anisylpiperidin-1-ium-4-yl)-2-phenyl-ethyl]pyrazole-3-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)N(C)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=CC(=N1)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O2/c1-29-16-15-25(28-29)27(32)30(2)26(19-21-7-5-4-6-8-21)23-13-17-31(18-14-23)20-22-9-11-24(33-3)12-10-22/h4-12,15-16,23,26H,13-14,17-20H2,1-3H3/p+1/t26-/m0/s1