4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O4S/c31-25(19-28-10-12-29(13-11-28)26(32)27-20-5-2-1-3-6-20)30(18-22-7-4-16-35-22)21-8-9-23-24(17-21)34-15-14-33-23/h1-9,16-17H,10-15,18-19H2,(H,27,32)/p+1