4-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzenecarbonitrile Openeye Name: 4-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzonitrile CAS Name: 4-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]benzonitrile IUPAC Name: 4-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]benzonitrile Traditional Name: 4-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzonitrile Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC=C(C=C1)C#N)[NH+]2CCOCC2

Isomeric SMILES

CC(C)[C@H](CC1=CC=C(C=C1)C#N)[NH+]2CCOCC2

InChI

InChI=1S/C16H22N2O/c1-13(2)16(18-7-9-19-10-8-18)11-14-3-5-15(12-17)6-4-14/h3-6,13,16H,7-11H2,1-2H3/p+1/t16-/m0/s1