(2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(1R)-1-phenylbutyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[(1R)-1-phenylbutyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C22H32N4O+2 MolecularWeight: 368.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-3-9-20(19-10-5-4-6-11-19)24-22(27)18(2)25-14-16-26(17-15-25)21-12-7-8-13-23-21/h4-8,10-13,18,20H,3,9,14-17H2,1-2H3,(H,24,27)/p+2/t18-,20+/m0/s1