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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-4-yl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-4-yl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-piperidin-1-iumyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-4-ylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-1-ium-4-yl-acetamide Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CC3CC[NH2+]CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CC3CC[NH2+]CC3)OC1

InChI

InChI=1S/C16H22N2O3/c19-16(10-12-4-6-17-7-5-12)18-13-2-3-14-15(11-13)21-9-1-8-20-14/h2-3,11-12,17H,1,4-10H2,(H,18,19)/p+1