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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-(methylamino)pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(methylamino)-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-(methylamino)-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-(methylamino)pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-(methylamino)-3-pyridyl]methanone Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O/c1-5-14-11-19(8-9-20(14)12(2)3)16(21)13-6-7-15(17-4)18-10-13/h6-7,10,12,14H,5,8-9,11H2,1-4H3,(H,17,18)/p+1/t14-/m0/s1