4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzenecarbonitrile

Systemtic Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzenecarbonitrile Openeye Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzonitrile CAS Name: 4-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]benzonitrile IUPAC Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzonitrile Traditional Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]benzonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H23N3/c1-14-5-2-3-11-19(14)12-4-10-18-16-8-6-15(13-17)7-9-16/h6-9,14,18H,2-5,10-12H2,1H3/p+1/t14-/m0/s1