N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(5-methylpyrazol-1-yl)benzamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-19-14-15-27-29(19)22-10-6-21(7-11-22)25(30)26-18-24(28-16-4-3-5-17-28)20-8-12-23(31-2)13-9-20/h6-15,24H,3-5,16-18H2,1-2H3,(H,26,30)/p+1/t24-/m1/s1