[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium CAS Name: [2-(cycloheptylamino)-2-oxoethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium Traditional Name: [2-(cycloheptylamino)-2-keto-ethyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH2+]CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH2+]CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H28N2O3/c22-19(21-16-5-3-1-2-4-6-16)14-20-10-9-15-7-8-17-18(13-15)24-12-11-23-17/h7-8,13,16,20H,1-6,9-12,14H2,(H,21,22)/p+1