(2S)-N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O2/c1-16-6-5-7-17(2)21(16)23-22(26)18(3)24-12-14-25(15-13-24)19-8-10-20(27-4)11-9-19/h5-11,18H,12-15H2,1-4H3,(H,23,26)/p+1/t18-/m0/s1