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

Systemtic Name: [6-[ethyl(methyl)amino]pyridin-3-yl]-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[ethyl(methyl)amino]-3-pyridyl]methanone CAS Name: [6-[ethyl(methyl)amino]-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]methanone IUPAC Name: [6-[ethyl(methyl)amino]pyridin-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[ethyl(methyl)amino]-3-pyridyl]methanone Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O/c1-6-16-13-21(10-11-22(16)14(3)4)18(23)15-8-9-17(19-12-15)20(5)7-2/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3/p+1/t16-/m0/s1