(2S)-2-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-butanenitrile

Systemtic Name: (2S)-2-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-butanenitrile Openeye Name: (2S)-2-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-butanenitrile CAS Name: (2S)-2-(4-methoxyphenyl)-2-(1-piperazin-4-iumyl)butanenitrile IUPAC Name: (2S)-2-(4-methoxyphenyl)-2-piperazin-4-ium-1-ylbutanenitrile Traditional Name: (2S)-2-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-butyronitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CC=C(C=C1)OC)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@@](C#N)(C1=CC=C(C=C1)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C15H21N3O/c1-3-15(12-16,18-10-8-17-9-11-18)13-4-6-14(19-2)7-5-13/h4-7,17H,3,8-11H2,1-2H3/p+1/t15-/m1/s1