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

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-veratryl-propionamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH+]2CCCCCCC2

InChI

InChI=1S/C19H30N2O3/c1-15(21-11-7-5-4-6-8-12-21)19(22)20-14-16-9-10-17(23-2)18(13-16)24-3/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1