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

Systemtic Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]piperazin-4-ium CAS Name: 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]piperazin-4-ium Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCC[NH+]2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C25H34N2O2/c1-3-9-22-12-13-24(25(20-22)28-2)29-19-8-7-14-26-15-17-27(18-16-26)21-23-10-5-4-6-11-23/h3-6,9-13,20H,7-8,14-19,21H2,1-2H3/p+1/b9-3+