N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-prop-2-enoxy-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-4-prop-2-enoxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]benzamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)OCC=C)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)OCC=C)[NH+]3CCCCCC3

InChI

InChI=1S/C25H32N2O3/c1-3-18-30-23-14-10-21(11-15-23)25(28)26-19-24(27-16-6-4-5-7-17-27)20-8-12-22(29-2)13-9-20/h3,8-15,24H,1,4-7,16-19H2,2H3,(H,26,28)/p+1/t24-/m0/s1