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

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C22H29N3O2/c1-16-8-7-10-20(17(16)2)25-14-12-24(13-15-25)18(3)22(26)23-19-9-5-6-11-21(19)27-4/h5-11,18H,12-15H2,1-4H3,(H,23,26)/p+1/t18-/m1/s1