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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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