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

Systemtic Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H29N3O4S/c31-26(19-29-12-10-20(11-13-29)27(32)28-21-5-2-1-3-6-21)30(18-23-7-4-16-35-23)22-8-9-24-25(17-22)34-15-14-33-24/h1-9,16-17,20H,10-15,18-19H2,(H,28,32)/p+1