(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-cyano-1,2-dimethyl-3-pyrrolyl)methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-cyano-1,2-dimethylpyrrol-3-yl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (5-cyano-1,2-dimethyl-pyrrol-3-yl)methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C16H28N4+2 MolecularWeight: 276.42032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C[NH2+]C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=C(C=C(N1C)C#N)C[NH2+]C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C16H26N4/c1-12(2)20-7-5-15(6-8-20)18-11-14-9-16(10-17)19(4)13(14)3/h9,12,15,18H,5-8,11H2,1-4H3/p+2