N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-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:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H32N4O/c1-4-19-8-10-20(11-9-19)23(18(2)3)25-22(28)17-26-13-15-27(16-14-26)21-7-5-6-12-24-21/h5-12,18,23H,4,13-17H2,1-3H3,(H,25,28)/p+2/t23-/m0/s1