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

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(3-methylpyridin-4-yl)methylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(3-methyl-4-pyridyl)methylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(3-methyl-4-pyridinyl)methylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(3-methylpyridin-4-yl)methylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(3-methyl-4-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=C(C=NC=C3)C

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=C(C=NC=C3)C

InChI

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