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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

InChI

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