4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzonitrile CAS Name: 4-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 4-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]benzonitrile Traditional Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]benzonitrile Formula: C18H20N3+ MolecularWeight: 278.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3/c1-20-11-12-21(17-9-7-15(13-19)8-10-17)18(14-20)16-5-3-2-4-6-16/h2-10,18H,11-12,14H2,1H3/p+1/t18-/m1/s1