N-[(2S)-2-oxidanylpropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(2S)-2-oxidanylpropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(2S)-2-hydroxypropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(2S)-2-hydroxypropyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(2S)-2-hydroxypropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(2S)-2-hydroxypropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](CNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-18(26)17-24-23(27)20-7-9-21(10-8-20)28-22-12-15-25(16-13-22)14-11-19-5-3-2-4-6-19/h2-10,18,22,26H,11-17H2,1H3,(H,24,27)/p+1/t18-/m0/s1