N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-benzylpiperidino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C27H34N3O4+ MolecularWeight: 464.57656

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N3O4/c31-26(30-14-8-21(9-15-30)16-20-4-2-1-3-5-20)18-29-12-10-22(11-13-29)27(32)28-23-6-7-24-25(17-23)34-19-33-24/h1-7,17,21-22H,8-16,18-19H2,(H,28,32)/p+1