(2R)-2-(azocan-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propionamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCCCCCC2

InChI

InChI=1S/C18H28N2O3/c1-14(20-11-7-5-4-6-8-12-20)18(21)19-15-9-10-16(22-2)17(13-15)23-3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21)/p+1/t14-/m1/s1