6-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]nicotinonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4/c1-20-9-10-21(17-8-7-14(11-18)12-19-17)16(13-20)15-5-3-2-4-6-15/h2-8,12,16H,9-10,13H2,1H3/p+1/t16-/m1/s1