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

Systemtic Name: N-[4-[[(6R)-6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(6R)-6-methoxy-3-oxo-4-(3-pyridylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(6R)-6-methoxy-3-oxo-4-(3-pyridinylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(6R)-6-methoxy-3-oxo-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(6R)-3-keto-6-methoxy-4-(3-pyridylmethyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C21H26N4O3/c1-16(26)23-19-7-5-17(6-8-19)11-24-13-20(28-2)14-25(21(27)15-24)12-18-4-3-9-22-10-18/h3-10,20H,11-15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1