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2-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-azanium

2-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name:2-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-azanium
Openeye Name:2-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-ammonium
CAS Name:2-[3-[(1R)-2-ammonio-1-(1-azepan-1-iumyl)ethyl]phenoxy]ethyl-dimethylammonium
IUPAC Name:2-[3-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethylazanium
Traditional Name:2-[3-[(1R)-2-ammonio-1-(azepan-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-ammonium
Formula: C18H34N3O+3
MolecularWeight: 308.48206
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCCCCC2


Isomeric SMILES

C[NH+](C)CCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCCC2


InChI

InChI=1S/C18H31N3O/c1-20(2)12-13-22-17-9-7-8-16(14-17)18(15-19)21-10-5-3-4-6-11-21/h7-9,14,18H,3-6,10-13,15,19H2,1-2H3/p+3/t18-/m0/s1


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