2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]pyridin-1-ium-3-carbonitrile Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=CC=[NH+]2)C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C=CC=[NH+]2)C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H19N3O2/c20-13-15-4-1-8-21-19(15)22-9-2-5-16(22)14-6-7-17-18(12-14)24-11-3-10-23-17/h1,4,6-8,12,16H,2-3,5,9-11H2/p+1/t16-/m0/s1