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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

InChI

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