[3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2R)-2-(4-ethyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)propanoyl]amino]benzyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)C(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C16H26N4O/c1-3-19-7-9-20(10-8-19)13(2)16(21)18-15-6-4-5-14(11-15)12-17/h4-6,11,13H,3,7-10,12,17H2,1-2H3,(H,18,21)/p+2/t13-/m1/s1