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

Systemtic Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-ethyl-4-methyl-1-piperazin-4-iumyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-ethyl-4-methylpiperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-ethyl-4-methyl-piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C20H31N5O2+2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-4-6-16-11-18(27-23-16)13-22-20(26)15-7-8-19(21-12-15)25-10-9-24(3)17(5-2)14-25/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3,(H,22,26)/p+2/t17-/m0/s1