[4-[butyl(methyl)amino]-1-propan-2-yl-piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [4-[butyl(methyl)amino]-1-propan-2-yl-piperidin-1-ium-4-yl]methylazanium Openeye Name: [4-[butyl(methyl)amino]-1-isopropyl-piperidin-1-ium-4-yl]methylammonium CAS Name: [4-[butyl(methyl)amino]-1-propan-2-yl-4-piperidin-1-iumyl]methylammonium IUPAC Name: [4-[butyl(methyl)amino]-1-propan-2-ylpiperidin-1-ium-4-yl]methylazanium Traditional Name: [4-[butyl(methyl)amino]-1-isopropyl-piperidin-1-ium-4-yl]methylammonium Formula: C14H33N3+2 MolecularWeight: 243.43192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1(CC[NH+](CC1)C(C)C)C[NH3+]

Isomeric SMILES

CCCCN(C)C1(CC[NH+](CC1)C(C)C)C[NH3+]

InChI

InChI=1S/C14H31N3/c1-5-6-9-16(4)14(12-15)7-10-17(11-8-14)13(2)3/h13H,5-12,15H2,1-4H3/p+2