(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-propoxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-propoxyphenyl)ethanenitrile Openeye Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-propoxyphenyl)acetonitrile CAS Name: (2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-propoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-propoxyphenyl)acetonitrile Traditional Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-propoxyphenyl)acetonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)[C@H](C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3O/c1-3-11-20-15-6-4-5-14(12-15)16(13-17)19-9-7-18(2)8-10-19/h4-6,12,16H,3,7-11H2,1-2H3/p+1/t16-/m0/s1