(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-N-methyl-N-phenyl-2-(4-veratrylpiperazine-1,4-diium-1-yl)propionamide Formula: C23H33N3O3+2 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)N(C)C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O3/c1-18(23(27)24(2)20-8-6-5-7-9-20)26-14-12-25(13-15-26)17-19-10-11-21(28-3)22(16-19)29-4/h5-11,16,18H,12-15,17H2,1-4H3/p+2/t18-/m1/s1