N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C27H34N4O2/c1-20-26(21(2)31(29-20)19-22-10-6-4-7-11-22)27(32)28-18-25(30-16-8-5-9-17-30)23-12-14-24(33-3)15-13-23/h4,6-7,10-15,25H,5,8-9,16-19H2,1-3H3,(H,28,32)/p+1/t25-/m1/s1