(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-17(21(25)22(2)18-8-5-4-6-9-18)23-12-14-24(15-13-23)19-10-7-11-20(16-19)26-3/h4-11,16-17H,12-15H2,1-3H3/p+1/t17-/m1/s1