[(1S)-2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azanium

Systemtic Name: [(1S)-2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azanium Openeye Name: [(1S)-2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium CAS Name: [(1S)-2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium IUPAC Name: [(1S)-2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azanium Traditional Name: [(1S)-2-(cyclopropylmethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ammonium Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(COCC3CC3)[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](COCC3CC3)[NH3+])OC1

InChI

InChI=1S/C15H21NO3/c16-13(10-17-9-11-2-3-11)12-4-5-14-15(8-12)19-7-1-6-18-14/h4-5,8,11,13H,1-3,6-7,9-10,16H2/p+1/t13-/m1/s1