N-(3-azanyl-4-chloranyl-phenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide CAS Name: N-(3-amino-4-chlorophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propionamide Formula: C15H24ClN4O+ MolecularWeight: 311.83026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C[NH+]1CCCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C15H23ClN4O/c1-19-6-2-7-20(10-9-19)8-5-15(21)18-12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,17H2,1H3,(H,18,21)/p+1