(2S)-2-[[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]amino]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[[4-(4-ethylpiperazin-1-ium-1-yl)phenyl]amino]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(4-ethylpiperazin-1-ium-1-yl)anilino]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(4-ethyl-1-piperazin-1-iumyl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-ethylpiperazin-1-ium-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(4-ethylpiperazin-1-ium-1-yl)anilino]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C28H35N4O2+ MolecularWeight: 459.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCN1CC[NH+](CC1)C2=CC=C(C=C2)N[C@@H](C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C28H34N4O2/c1-4-31-16-18-32(19-17-31)24-13-11-23(12-14-24)29-27(22-8-6-5-7-9-22)28(33)30-25-20-21(2)10-15-26(25)34-3/h5-15,20,27,29H,4,16-19H2,1-3H3,(H,30,33)/p+1/t27-/m0/s1