(2S)-N-(4-azanyl-2-methoxy-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-methoxy-phenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-amino-2-methoxy-phenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-amino-2-methoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-amino-2-methoxy-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)N)OC)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)N)OC)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H20N4O3/c1-9(18-6-5-16-13(19)8-18)14(20)17-11-4-3-10(15)7-12(11)21-2/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20)/p+1/t9-/m0/s1