3-(azepan-1-ium-1-yl)-1-(3,4-diethoxyphenyl)propan-1-one

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(3,4-diethoxyphenyl)propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-(3,4-diethoxyphenyl)propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-(3,4-diethoxyphenyl)-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(3,4-diethoxyphenyl)propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-(3,4-diethoxyphenyl)propan-1-one Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CC[NH+]2CCCCCC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CC[NH+]2CCCCCC2)OCC

InChI

InChI=1S/C19H29NO3/c1-3-22-18-10-9-16(15-19(18)23-4-2)17(21)11-14-20-12-7-5-6-8-13-20/h9-10,15H,3-8,11-14H2,1-2H3/p+1