4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-amine CAS Name: 4-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 4-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]pyridin-1-ium-3-amine Traditional Name: [4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]amine Formula: C16H22N4+2 MolecularWeight: 270.37268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C3=C(C=[NH+]C=C3)N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C3=C(C=[NH+]C=C3)N

InChI

InChI=1S/C16H20N4/c1-19-9-10-20(15-7-8-18-11-14(15)17)16(12-19)13-5-3-2-4-6-13/h2-8,11,16H,9-10,12,17H2,1H3/p+2/t16-/m1/s1