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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[2-(6-methylpyridin-2-yl)ethylamino]pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-(6-methyl-2-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[2-(6-methyl-2-pyridinyl)ethylamino]-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[2-(6-methylpyridin-2-yl)ethylamino]pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[2-(6-methyl-2-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone Formula: C23H35N5O+2 MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=CC(=N3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=CC(=N3)C

InChI

InChI=1S/C23H33N5O/c1-5-21-16-27(13-14-28(21)17(2)3)23(29)19-9-10-22(25-15-19)24-12-11-20-8-6-7-18(4)26-20/h6-10,15,17,21H,5,11-14,16H2,1-4H3,(H,24,25)/p+2/t21-/m0/s1