4-(cyclopropylmethyl)-1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(E)-3-(2-furyl)-2-methyl-allyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[(E)-3-(2-furanyl)-2-methylprop-2-enyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-[(E)-3-(2-furyl)-2-methyl-allyl]-1,4-diazepan-1-ium-5-one Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CO1)C[NH+]2CCC(=O)N(CC2)CC3CC3

Isomeric SMILES

C/C(=C\C1=CC=CO1)/C[NH+]2CCC(=O)N(CC2)CC3CC3

InChI

InChI=1S/C17H24N2O2/c1-14(11-16-3-2-10-21-16)12-18-7-6-17(20)19(9-8-18)13-15-4-5-15/h2-3,10-11,15H,4-9,12-13H2,1H3/p+1/b14-11+