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

Systemtic Name: [2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridin-3-yl]methylazanium Openeye Name: [2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-pyridyl]methylammonium CAS Name: [2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-pyridinyl]methylammonium IUPAC Name: [2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]pyridin-3-yl]methylazanium Traditional Name: [2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-pyridyl]methylammonium Formula: C17H24N4+2 MolecularWeight: 284.39926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C3=C(C=CC=N3)C[NH3+]

InChI

InChI=1S/C17H22N4/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,10-13,18H2,1H3/p+2/t16-/m1/s1