[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-methylallylamino)pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-(2-methylprop-2-enylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-methylallylamino)pyridin-1-ium-3-yl]methanone Formula: C19H32N4O+2 MolecularWeight: 332.48358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCC(=C)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCC(=C)C

InChI

InChI=1S/C19H30N4O/c1-6-17-13-22(9-10-23(17)15(4)5)19(24)16-7-8-18(21-12-16)20-11-14(2)3/h7-8,12,15,17H,2,6,9-11,13H2,1,3-5H3,(H,20,21)/p+2/t17-/m0/s1