6-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 6-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-[(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-[(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]nicotinamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](C(C3)CC)C(C)C

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+]([C@H](C3)CC)C(C)C

InChI

InChI=1S/C22H33N5O2/c1-5-7-18-12-20(29-25-18)14-24-22(28)17-8-9-21(23-13-17)26-10-11-27(16(3)4)19(6-2)15-26/h8-9,12-13,16,19H,5-7,10-11,14-15H2,1-4H3,(H,24,28)/p+1/t19-/m0/s1