N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N2O3/c1-18-8-6-7-13-25(18)16-23(26)24-15-20-11-12-21(22(14-20)27-2)28-17-19-9-4-3-5-10-19/h3-5,9-12,14,18H,6-8,13,15-17H2,1-2H3,(H,24,26)/p+1/t18-/m0/s1