N,3-dimethyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N,3-dimethyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1-benzofuran-2-carboxamide Openeye Name: N,3-dimethyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N,3-dimethyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-benzofurancarboxamide IUPAC Name: N,3-dimethyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N,3-dimethyl-coumarilamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C25H29N3O3/c1-18-7-6-8-20(15-18)16-27-11-13-28(14-12-27)23(29)17-26(3)25(30)24-19(2)21-9-4-5-10-22(21)31-24/h4-10,15H,11-14,16-17H2,1-3H3/p+1