[3,6-bis(chloranyl)pyridin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3,6-bis(chloranyl)pyridin-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3,6-dichloro-2-pyridyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3,6-dichloro-2-pyridinyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,6-dichloropyridin-2-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3,6-dichloro-2-pyridyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C18H20Cl2N3O+ MolecularWeight: 365.2769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=C(C=CC(=N3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=C(C=CC(=N3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O/c19-15-6-7-16(20)21-17(15)18(24)23-12-10-22(11-13-23)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2/p+1