3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]ammonium CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]ammonium IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl]ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)[NH2+]C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)[NH2+]C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O3/c1-14-12-16-6-3-4-7-18(16)23(14)21(24)15(2)22-17-8-9-19-20(13-17)26-11-5-10-25-19/h3-4,6-9,13-15,22H,5,10-12H2,1-2H3/p+1/t14-,15-/m0/s1