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

Systemtic Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-phenylpiperazin-1-ium-1-yl)-N-veratryl-propionamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-17(24-11-13-25(14-12-24)19-7-5-4-6-8-19)22(26)23-16-18-9-10-20(27-2)21(15-18)28-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)/p+1/t17-/m1/s1