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

Systemtic Name: [2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-naphthalen-2-yl-azanium Openeye Name: [2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-(2-naphthyl)ammonium CAS Name: [2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]-(2-naphthalenyl)ammonium IUPAC Name: [2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-naphthalen-2-ylazanium Traditional Name: [2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]-(2-naphthyl)ammonium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C[NH2+]C2=CC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[NH2+]C2=CC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H26N2O3/c28-25(17-26-21-10-8-18-5-1-2-6-19(18)15-21)27-12-3-7-22(27)20-9-11-23-24(16-20)30-14-4-13-29-23/h1-2,5-6,8-11,15-16,22,26H,3-4,7,12-14,17H2/p+1/t22-/m0/s1