N-[4-azanyl-2,6-bis(chloranyl)phenyl]-3-(azepan-1-ium-1-yl)propanamide

Systemtic Name: N-[4-azanyl-2,6-bis(chloranyl)phenyl]-3-(azepan-1-ium-1-yl)propanamide Openeye Name: N-(4-amino-2,6-dichloro-phenyl)-3-(azepan-1-ium-1-yl)propanamide CAS Name: N-(4-amino-2,6-dichlorophenyl)-3-(1-azepan-1-iumyl)propanamide IUPAC Name: N-(4-amino-2,6-dichlorophenyl)-3-(azepan-1-ium-1-yl)propanamide Traditional Name: N-(4-amino-2,6-dichloro-phenyl)-3-(azepan-1-ium-1-yl)propionamide Formula: C15H22Cl2N3O+ MolecularWeight: 331.26068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2Cl)N)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2Cl)N)Cl

InChI

InChI=1S/C15H21Cl2N3O/c16-12-9-11(18)10-13(17)15(12)19-14(21)5-8-20-6-3-1-2-4-7-20/h9-10H,1-8,18H2,(H,19,21)/p+1