[(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propoxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-(4-propoxyphenyl)ethyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CN2CCC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](CN2CCC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C17H29N3O/c1-3-13-21-16-7-5-15(6-8-16)17(18)14-20-10-4-9-19(2)11-12-20/h5-8,17H,3-4,9-14,18H2,1-2H3/p+2/t17-/m1/s1