N-(4-azanyl-2-chloranyl-phenyl)-3-(azocan-1-ium-1-yl)propanamide

Systemtic Name: N-(4-azanyl-2-chloranyl-phenyl)-3-(azocan-1-ium-1-yl)propanamide Openeye Name: N-(4-amino-2-chloro-phenyl)-3-(azocan-1-ium-1-yl)propanamide CAS Name: N-(4-amino-2-chlorophenyl)-3-(1-azocan-1-iumyl)propanamide IUPAC Name: N-(4-amino-2-chlorophenyl)-3-(azocan-1-ium-1-yl)propanamide Traditional Name: N-(4-amino-2-chloro-phenyl)-3-(azocan-1-ium-1-yl)propionamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CCC(=O)NC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C1CCC[NH+](CCC1)CCC(=O)NC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C16H24ClN3O/c17-14-12-13(18)6-7-15(14)19-16(21)8-11-20-9-4-2-1-3-5-10-20/h6-7,12H,1-5,8-11,18H2,(H,19,21)/p+1