N-ethyl-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: N-ethyl-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: N-ethyl-2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: N-ethyl-2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: N-ethyl-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: N-ethyl-2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N(CC)C4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N(CC)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H33N3O3/c1-4-21-9-10-25-24(16-21)22(17-27(32)33-25)18-28-11-13-29(14-12-28)19-26(31)30(5-2)23-8-6-7-20(3)15-23/h6-10,15-17H,4-5,11-14,18-19H2,1-3H3/p+1