1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepan-1-ium

Systemtic Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepan-1-ium Openeye Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepan-1-ium CAS Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepan-1-ium IUPAC Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepan-1-ium Traditional Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azepan-1-ium Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCC[NH+]2CCCCCC2)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCC[NH+]2CCCCCC2)OC

InChI

InChI=1S/C19H29NO2/c1-3-9-17-10-11-18(19(16-17)21-2)22-15-8-14-20-12-6-4-5-7-13-20/h3,9-11,16H,4-8,12-15H2,1-2H3/p+1/b9-3+