(5-chloranyl-2-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-chloro-2-methoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H17ClN2O2/c1-18-12-4-3-10(14)9-11(12)13(17)16-7-2-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3/p+1