[(2S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-yl-ethyl]azanium Openeye Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-pyridin-2-ylethyl]azanium Traditional Name: [(2S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyridyl)ethyl]ammonium Formula: C18H26N4+2 MolecularWeight: 298.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(C[NH3+])C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@@H](C[NH3+])C3=CC=CC=N3

InChI

InChI=1S/C18H24N4/c19-14-18(17-8-4-5-9-20-17)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,18H,10-15,19H2/p+2/t18-/m0/s1