2-[7-(furan-2-yl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]-4-methyl-phenol

Systemtic Name: 2-[7-(furan-2-yl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]-4-methyl-phenol Openeye Name: 2-[7-(2-furyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]-4-methyl-phenol CAS Name: 2-[7-(2-furanyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]-4-methylphenol IUPAC Name: 2-[7-(furan-2-yl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]-4-methylphenol Traditional Name: 2-[7-(2-furyl)-2,3-dihydro-1H-1,4-diazepin-4-ium-5-yl]-4-methyl-phenol Formula: C16H17N2O2+ MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C2=[NH+]CCNC(=C2)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C2=[NH+]CCNC(=C2)C3=CC=CO3

InChI

InChI=1S/C16H16N2O2/c1-11-4-5-15(19)12(9-11)13-10-14(18-7-6-17-13)16-3-2-8-20-16/h2-5,8-10,18-19H,6-7H2,1H3/p+1