(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-N-mesityl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C21H30N4O+2 MolecularWeight: 354.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C21H28N4O/c1-15-13-16(2)20(17(3)14-15)23-21(26)18(4)24-9-11-25(12-10-24)19-7-5-6-8-22-19/h5-8,13-14,18H,9-12H2,1-4H3,(H,23,26)/p+2/t18-/m0/s1