[(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-2-propoxy-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-2-propoxy-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-propoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(5-chloro-2-propoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-propoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-propoxy-phenyl)ethyl]ammonium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C17H27ClN2O/c1-2-11-21-17-8-7-14(18)12-15(17)16(13-19)20-9-5-3-4-6-10-20/h7-8,12,16H,2-6,9-11,13,19H2,1H3/p+2/t16-/m0/s1