(2S)-N-cyclopropyl-2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]amino]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]amino]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-anilino]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylanilino]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylanilino]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-anilino]-2-phenyl-acetamide Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(C3=CC=CC=C3)C(=O)NC4CC4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)N[C@@H](C3=CC=CC=C3)C(=O)NC4CC4)C

InChI

InChI=1S/C24H32N4O/c1-3-27-13-15-28(16-14-27)22-12-11-21(17-18(22)2)25-23(19-7-5-4-6-8-19)24(29)26-20-9-10-20/h4-8,11-12,17,20,23,25H,3,9-10,13-16H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1