[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[2-(cyclohexen-1-yl)ethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[2-(cyclohexen-1-yl)ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[2-(cyclohexen-1-yl)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(1-cyclohexenyl)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(cyclohexen-1-yl)ethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[2-(cyclohexen-1-yl)ethyl]ammonium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CCCCC2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CCCCC2)OCC(=O)N

InChI

InChI=1S/C18H26N2O3/c1-22-17-11-15(7-8-16(17)23-13-18(19)21)12-20-10-9-14-5-3-2-4-6-14/h5,7-8,11,20H,2-4,6,9-10,12-13H2,1H3,(H2,19,21)/p+1