2-[3,4-bis(chloranyl)phenoxy]-1-piperidin-1-ium-1-ylidene-ethanamine

Systemtic Name: 2-[3,4-bis(chloranyl)phenoxy]-1-piperidin-1-ium-1-ylidene-ethanamine Openeye Name: 2-(3,4-dichlorophenoxy)-1-piperidin-1-ium-1-ylidene-ethanamine CAS Name: 2-(3,4-dichlorophenoxy)-1-(1-piperidin-1-iumylidene)ethanamine IUPAC Name: 2-(3,4-dichlorophenoxy)-1-piperidin-1-ium-1-ylideneethanamine Traditional Name: [2-(3,4-dichlorophenoxy)-1-piperidin-1-ium-1-ylidene-ethyl]amine Formula: C13H17Cl2N2O+ MolecularWeight: 288.19288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(COC2=CC(=C(C=C2)Cl)Cl)N)CC1

Isomeric SMILES

C1CC[N+](=C(COC2=CC(=C(C=C2)Cl)Cl)N)CC1

InChI

InChI=1S/C13H16Cl2N2O/c14-11-5-4-10(8-12(11)15)18-9-13(16)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2/p+1