[(1S)-2-(azocan-1-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-isopropoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-(1-azocan-1-iumyl)-1-(4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-isopropoxyphenyl)ethyl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C[NH+]2CCCCCCC2)[NH3+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCCC2)[NH3+]

InChI

InChI=1S/C18H30N2O/c1-15(2)21-17-10-8-16(9-11-17)18(19)14-20-12-6-4-3-5-7-13-20/h8-11,15,18H,3-7,12-14,19H2,1-2H3/p+2/t18-/m1/s1