(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-veratryl-propionamide Formula: C19H30N3O4+ MolecularWeight: 364.4592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH+]2CCCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH+]2CCCN(CC2)C(=O)C

InChI

InChI=1S/C19H29N3O4/c1-14(21-8-5-9-22(11-10-21)15(2)23)19(24)20-13-16-6-7-17(25-3)18(12-16)26-4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,20,24)/p+1/t14-/m1/s1