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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(3-methylpyridin-2-yl)methylamino]pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(3-methyl-2-pyridyl)methylamino]pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(3-methyl-2-pyridinyl)methylamino]-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(3-methylpyridin-2-yl)methylamino]pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(3-methyl-2-pyridyl)methylamino]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)NCC3=C(C=CC=N3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCC3=C(C=CC=N3)C

InChI

InChI=1S/C22H31N5O/c1-5-19-15-26(11-12-27(19)16(2)3)22(28)18-8-9-21(24-13-18)25-14-20-17(4)7-6-10-23-20/h6-10,13,16,19H,5,11-12,14-15H2,1-4H3,(H,24,25)/p+2/t19-/m0/s1