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

Systemtic Name: 5-chloranyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C26H32ClN4O2+ MolecularWeight: 468.01088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H31ClN4O2/c1-19-24(25(27)31(29-19)18-20-9-5-3-6-10-20)26(32)28-17-23(30-15-7-4-8-16-30)21-11-13-22(33-2)14-12-21/h3,5-6,9-14,23H,4,7-8,15-18H2,1-2H3,(H,28,32)/p+1/t23-/m1/s1