(2S)-N-(4-ethylphenyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]propionamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC

InChI

InChI=1S/C23H32N4O/c1-4-19-6-8-21(9-7-19)25-23(28)18(3)24-20-10-12-22(13-11-20)27-16-14-26(5-2)15-17-27/h6-13,18,24H,4-5,14-17H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1