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

Systemtic Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-veratryl-propionamide Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O3/c1-16(24-10-12-25(13-11-24)20-6-4-5-9-22-20)21(26)23-15-17-7-8-18(27-2)19(14-17)28-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,26)/p+2/t16-/m1/s1