N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propyl-piperidin-1-ium-4-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propyl-piperidin-1-ium-4-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propylpiperidin-1-ium-4-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-propylpiperidin-1-ium-4-yl)amine Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H26N2O2/c1-2-8-19-9-6-14(7-10-19)18-15-4-5-16-17(13-15)21-12-3-11-20-16/h4-5,13-14,18H,2-3,6-12H2,1H3/p+1