N-[5-[[(6R)-6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]thiophen-2-yl]ethanamide

Systemtic Name: N-[5-[[(6R)-6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]thiophen-2-yl]ethanamide Openeye Name: N-[5-[[(6R)-6-methoxy-3-oxo-4-(3-pyridylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-thienyl]acetamide CAS Name: N-[5-[[(6R)-6-methoxy-3-oxo-4-(3-pyridinylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-thiophenyl]acetamide IUPAC Name: N-[5-[[(6R)-6-methoxy-3-oxo-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]thiophen-2-yl]acetamide Traditional Name: N-[5-[[(6R)-3-keto-6-methoxy-4-(3-pyridylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]-2-thienyl]acetamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C19H24N4O3S/c1-14(24)21-18-6-5-17(27-18)12-22-10-16(26-2)11-23(19(25)13-22)9-15-4-3-7-20-8-15/h3-8,16H,9-13H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1