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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl]piperidin-1-ium-4-carboxamide Formula: C26H40N4O5+2 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[NH+]5CCOCC5

InChI

InChI=1S/C26H38N4O5/c31-24(27-18-26(8-2-1-3-9-26)30-12-14-33-15-13-30)17-29-10-6-20(7-11-29)25(32)28-21-4-5-22-23(16-21)35-19-34-22/h4-5,16,20H,1-3,6-15,17-19H2,(H,27,31)(H,28,32)/p+2