N-[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-methoxy-4-oxidanyl-butan-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide bromide

Systemtic Name: N-[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-methoxy-4-oxidanyl-butan-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide bromide Openeye Name: N-[(1R,2R)-2-[(3-carbamimidoylphenyl)methyl]-3-hydroxy-3-methoxy-1-methyl-propyl]-1-oxido-pyridin-1-ium-4-carboxamide bromide CAS Name: N-[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-4-methoxybutan-2-yl]-1-oxido-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-4-methoxybutan-2-yl]-1-oxidopyridin-1-ium-4-carboxamide bromide Traditional Name: N-[(1R,2R)-2-(3-amidinobenzyl)-3-hydroxy-3-methoxy-1-methyl-propyl]-1-oxido-pyridin-1-ium-4-carboxamide bromide Formula: C19H24BrN4O4- MolecularWeight: 452.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(O)OC)NC(=O)C2=CC=[N+](C=C2)[O-].[Br-]

Isomeric SMILES

C[C@H]([C@@H](CC1=CC=CC(=C1)C(=N)N)C(O)OC)NC(=O)C2=CC=[N+](C=C2)[O-].[Br-]

InChI

InChI=1S/C19H24N4O4.BrH/c1-12(22-18(24)14-6-8-23(26)9-7-14)16(19(25)27-2)11-13-4-3-5-15(10-13)17(20)21;/h3-10,12,16,19,25H,11H2,1-2H3,(H3,20,21)(H,22,24);1H/p-1/t12-,16-,19?;/m1./s1