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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-vinylbenzimidazol-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethenyl-1-benzimidazol-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethenylbenzimidazol-1-ium-1-yl)propanamide Traditional Name: (2R)-N-piperonyl-2-(3-vinylbenzimidazol-1-ium-1-yl)propionamide Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CN(C4=CC=CC=C43)C=C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CN(C4=CC=CC=C43)C=C

InChI

InChI=1S/C20H19N3O3/c1-3-22-12-23(17-7-5-4-6-16(17)22)14(2)20(24)21-11-15-8-9-18-19(10-15)26-13-25-18/h3-10,12,14H,1,11,13H2,2H3/p+1/t14-/m1/s1