[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[2-(cyclohexen-1-yl)ethyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[2-(cyclohexen-1-yl)ethyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[2-(cyclohexen-1-yl)ethyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[2-(1-cyclohexenyl)ethyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[2-(cyclohexen-1-yl)ethyl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[2-keto-2-(piperonylamino)ethyl]ammonium Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=CC1)CC[NH2+]CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O3/c21-18(12-19-9-8-14-4-2-1-3-5-14)20-11-15-6-7-16-17(10-15)23-13-22-16/h4,6-7,10,19H,1-3,5,8-9,11-13H2,(H,20,21)/p+1