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

Systemtic Name: (2S)-N-(4-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-cyanophenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H26N4O/c1-16-5-4-6-21(17(16)2)26-13-11-25(12-14-26)18(3)22(27)24-20-9-7-19(15-23)8-10-20/h4-10,18H,11-14H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1