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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[methyl(pyridin-2-ylmethyl)amino]pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[methyl(2-pyridylmethyl)amino]pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[methyl(2-pyridinylmethyl)amino]-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[methyl(pyridin-2-ylmethyl)amino]pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[methyl(2-pyridylmethyl)amino]pyridin-1-ium-3-yl]methanone Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=N3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)N(C)CC3=CC=CC=N3

InChI

InChI=1S/C22H31N5O/c1-5-20-16-26(12-13-27(20)17(2)3)22(28)18-9-10-21(24-14-18)25(4)15-19-8-6-7-11-23-19/h6-11,14,17,20H,5,12-13,15-16H2,1-4H3/p+2/t20-/m0/s1