7-bromanyl-8-methoxy-4-phenethyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinolin-4-ium

Systemtic Name: 7-bromanyl-8-methoxy-4-phenethyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinolin-4-ium Openeye Name: 7-bromo-8-methoxy-4-phenethyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinolin-4-ium CAS Name: 7-bromo-8-methoxy-4-phenethyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinolin-4-ium IUPAC Name: 7-bromo-8-methoxy-4-phenethyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinolin-4-ium Traditional Name: 7-bromo-8-methoxy-4-phenethyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinolin-4-ium Formula: C21H22BrN2O2+ MolecularWeight: 414.31558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC3=C(N=C2C=C1)OCC[NH+](C3)CCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C2=CC3=C(N=C2C=C1)OCC[NH+](C3)CCC4=CC=CC=C4)Br

InChI

InChI=1S/C21H21BrN2O2/c1-25-19-8-7-18-17(20(19)22)13-16-14-24(11-12-26-21(16)23-18)10-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1