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

Systemtic Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepan-1-ium Openeye Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepan-1-ium CAS Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepan-1-ium IUPAC Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepan-1-ium Traditional Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]azepan-1-ium Formula: C20H32NO2+ MolecularWeight: 318.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO2/c1-3-10-18-11-12-19(20(17-18)22-2)23-16-9-8-15-21-13-6-4-5-7-14-21/h3,10-12,17H,4-9,13-16H2,1-2H3/p+1/b10-3+