N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N4O+2 MolecularWeight: 382.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O/c1-18(2)16-20-7-9-21(10-8-20)19(3)25-23(28)17-26-12-14-27(15-13-26)22-6-4-5-11-24-22/h4-11,18-19H,12-17H2,1-3H3,(H,25,28)/p+2/t19-/m0/s1