4-[(2S)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propoxy]benzonitrile Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C17H25N3O2/c1-19-9-7-15(8-10-19)20(2)12-16(21)13-22-17-5-3-14(11-18)4-6-17/h3-6,15-16,21H,7-10,12-13H2,1-2H3/p+1/t16-/m0/s1