[(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-propoxy-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-propoxy-phenyl)ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-propoxy-phenyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepan-1-iumyl)-2-(4-methoxy-2-propoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-propoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxy-2-propoxy-phenyl)ethyl]ammonium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-3-12-22-18-13-15(21-2)8-9-16(18)17(14-19)20-10-6-4-5-7-11-20/h8-9,13,17H,3-7,10-12,14,19H2,1-2H3/p+2/t17-/m1/s1