(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)propionamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3/c1-16(22(25)23-19-7-8-20-21(14-19)27-15-26-20)24-11-9-18(10-12-24)13-17-5-3-2-4-6-17/h2-8,14,16,18H,9-13,15H2,1H3,(H,23,25)/p+1/t16-/m1/s1