1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]azepan-1-ium CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]azepan-1-ium Formula: C19H30BrN2O+ MolecularWeight: 382.3583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H29BrN2O/c1-23-19-7-6-17(20)14-16(19)15-21-12-8-18(9-13-21)22-10-4-2-3-5-11-22/h6-7,14,18H,2-5,8-13,15H2,1H3/p+1