1-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-[4-(4-allyl-2-methoxy-phenoxy)butyl]-4-benzyl-piperazine-1,4-diium CAS Name: 1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(4-allyl-2-methoxy-phenoxy)butyl]-4-benzyl-piperazine-1,4-diium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

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/h3-6,10-13,20H,1,7-9,14-19,21H2,2H3/p+2