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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-(2-methylprop-2-enylamino)pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-methylallylamino)-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-(2-methylprop-2-enylamino)pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(2-methylallylamino)-3-pyridyl]methanone Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=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+1/t17-/m0/s1