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

Systemtic Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butanenitrile Openeye Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butanenitrile CAS Name: 4-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]butanenitrile IUPAC Name: 4-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]butanenitrile Traditional Name: 4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butyronitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3/c1-17-11-12-18(10-6-5-9-16)15(13-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,10-13H2,1H3/p+1/t15-/m1/s1