1-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(1S)-1-phenylethyl]-1-piperazin-4-iumyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-[(1S)-1-phenylethyl]piperazin-4-ium-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C23H34N5O+3 MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H31N5O/c1-20(21-7-3-2-4-8-21)26-15-17-28(18-16-26)23(29)19-25-11-13-27(14-12-25)22-9-5-6-10-24-22/h2-10,20H,11-19H2,1H3/p+3/t20-/m0/s1