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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(6-methylpyridin-2-yl)methylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(6-methyl-2-pyridyl)methylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(6-methylpyridin-2-yl)methylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(6-methyl-2-pyridyl)methylamino]-3-pyridyl]methanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=CC=CC(=N3)C

Isomeric SMILES

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

InChI

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