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

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethanenitrile Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]acetonitrile CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]acetonitrile IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]acetonitrile Traditional Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]acetonitrile Formula: C11H22N3+ MolecularWeight: 196.31248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNCC#N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNCC#N

InChI

InChI=1S/C11H21N3/c1-11-5-2-3-9-14(11)10-4-7-13-8-6-12/h11,13H,2-5,7-10H2,1H3/p+1/t11-/m0/s1