(2S)-N-(5-azanyl-2-methyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-methyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-amino-2-methylphenyl)-2-(4-methyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-methylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propionamide Formula: C15H25N4O+ MolecularWeight: 277.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)C(C)[NH+]2CCN(CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)[C@H](C)[NH+]2CCN(CC2)C

InChI

InChI=1S/C15H24N4O/c1-11-4-5-13(16)10-14(11)17-15(20)12(2)19-8-6-18(3)7-9-19/h4-5,10,12H,6-9,16H2,1-3H3,(H,17,20)/p+1/t12-/m0/s1