N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-propoxybenzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-propoxybenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-propoxy-benzamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C24H32N2O3/c1-3-17-29-23-10-6-5-9-21(23)24(27)25-18-22(26-15-7-4-8-16-26)19-11-13-20(28-2)14-12-19/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1