[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridin-3-yl]methanone

Systemtic Name: [(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridin-3-yl]methanone Openeye Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(5-methylisoxazol-3-yl)methylamino]-3-pyridyl]methanone CAS Name: [(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-[6-[(5-methyl-3-isoxazolyl)methylamino]-3-pyridinyl]methanone IUPAC Name: [(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridin-3-yl]methanone Traditional Name: [(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-[6-[(5-methylisoxazol-3-yl)methylamino]-3-pyridyl]methanone Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=CN=C(C=C2)NCC3=NOC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-5-18-13-24(8-9-25(18)14(2)3)20(26)16-6-7-19(21-11-16)22-12-17-10-15(4)27-23-17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,21,22)/p+1/t18-/m0/s1