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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3,3-diphenyl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3,3-diphenyl-propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3,3-diphenylpropanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3,3-diphenylpropanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3,3-diphenyl-propionamide Formula: C28H34N3O+ MolecularWeight: 428.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H33N3O/c1-3-30-16-18-31(19-17-30)25-14-15-27(22(2)20-25)29-28(32)21-26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,26H,3,16-19,21H2,1-2H3,(H,29,32)/p+1