(2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-azanyl-4-chloranyl-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide Openeye Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide CAS Name: (2S)-N-(3-amino-4-chlorophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide IUPAC Name: (2S)-N-(3-amino-4-chlorophenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanamide Traditional Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propionamide Formula: C15H25ClN4O+2 MolecularWeight: 312.8382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)N)[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)N)[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C15H23ClN4O/c1-11(20-7-3-6-19(2)8-9-20)15(21)18-12-4-5-13(16)14(17)10-12/h4-5,10-11H,3,6-9,17H2,1-2H3,(H,18,21)/p+2/t11-/m0/s1