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

Systemtic Name: (2S)-N-(4-cyanophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-cyanophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-cyanophenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-cyanophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-cyanophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H24N4O2/c1-16(21(26)23-18-9-7-17(15-22)8-10-18)24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-10,16H,11-14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1