(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H24BrN2O3+ MolecularWeight: 372.27736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC[NH+](CC2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC[NH+](CC2)C)OC

InChI

InChI=1S/C16H23BrN2O3/c1-4-22-15-13(17)10-12(11-14(15)21-3)16(20)19-7-5-6-18(2)8-9-19/h10-11H,4-9H2,1-3H3/p+1