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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propionamide Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCCCCC3

InChI

InChI=1S/C16H22N2O3/c1-12(18-8-4-2-3-5-9-18)16(19)17-13-6-7-14-15(10-13)21-11-20-14/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,19)/p+1/t12-/m1/s1