N-[(3R,4R)-1-(cyclohexylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzamide

Systemtic Name: N-[(3R,4R)-1-(cyclohexylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzamide Openeye Name: N-[(3R,4R)-1-(cyclohexylmethyl)-4-hydroxy-azepan-1-ium-3-yl]-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzamide CAS Name: N-[(3R,4R)-1-(cyclohexylmethyl)-4-hydroxy-3-azepan-1-iumyl]-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzamide IUPAC Name: N-[(3R,4R)-1-(cyclohexylmethyl)-4-hydroxyazepan-1-ium-3-yl]-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzamide Traditional Name: N-[(3R,4R)-1-(cyclohexylmethyl)-4-hydroxy-azepan-1-ium-3-yl]-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzamide Formula: C26H43N3O3+2 MolecularWeight: 445.63792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC[NH+]4CCCC4)O

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC[NH+]4CCCC4)O

InChI

InChI=1S/C26H41N3O3/c30-25-9-6-16-29(19-21-7-2-1-3-8-21)20-24(25)27-26(31)22-10-12-23(13-11-22)32-18-17-28-14-4-5-15-28/h10-13,21,24-25,30H,1-9,14-20H2,(H,27,31)/p+2/t24-,25-/m1/s1