(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(3-phenylpyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C22H21N2O3+ MolecularWeight: 361.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c1-16(24-11-5-8-19(14-24)18-6-3-2-4-7-18)22(25)23-13-17-9-10-20-21(12-17)27-15-26-20/h2-12,14,16H,13,15H2,1H3/p+1/t16-/m1/s1