N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(1S)-1-(1,3-dimethyl-4-pyrazolyl)ethyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1[C@H](C)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H34N4O2/c1-20(26-19-30(3)29-21(26)2)28-27(32)23-9-11-24(12-10-23)33-25-14-17-31(18-15-25)16-13-22-7-5-4-6-8-22/h4-12,19-20,25H,13-18H2,1-3H3,(H,28,32)/p+1/t20-/m0/s1