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

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-prop-2-enoxy-benzamide Openeye Name: 4-allyloxy-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-prop-2-enoxybenzamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-4-prop-2-enoxybenzamide Traditional Name: 4-allyloxy-N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C23H28ClN2O2+ MolecularWeight: 399.93362

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C23H27ClN2O2/c1-2-16-28-21-12-8-19(9-13-21)23(27)25-17-22(26-14-4-3-5-15-26)18-6-10-20(24)11-7-18/h2,6-13,22H,1,3-5,14-17H2,(H,25,27)/p+1/t22-/m0/s1