3-(4-tert-butylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide CAS Name: 3-(4-tert-butylphenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propionamide Formula: C26H38N3O+ MolecularWeight: 408.59942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C26H37N3O/c1-6-28-15-17-29(18-16-28)23-12-13-24(20(2)19-23)27-25(30)14-9-21-7-10-22(11-8-21)26(3,4)5/h7-8,10-13,19H,6,9,14-18H2,1-5H3,(H,27,30)/p+1