1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(E)-3-(2-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[(E)-3-(2-methoxyphenyl)allyl]-1,4-diazepan-1-ium-5-one Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCC(=O)N(CC2)CC=C

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC(=O)N(CC2)CC=C

InChI

InChI=1S/C18H24N2O2/c1-3-11-20-15-14-19(13-10-18(20)21)12-6-8-16-7-4-5-9-17(16)22-2/h3-9H,1,10-15H2,2H3/p+1/b8-6+