1-morpholin-4-ium-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclohexane-1-carboxamide Openeye Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclohexanecarboxamide CAS Name: 1-(4-morpholin-4-iumyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclohexane-1-carboxamide Traditional Name: 1-morpholin-4-ium-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]cyclohexanecarboxamide Formula: C24H39N3O2+2 MolecularWeight: 401.58536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H37N3O2/c28-23(24(12-5-2-6-13-24)27-16-18-29-19-17-27)25-22-10-7-14-26(20-22)15-11-21-8-3-1-4-9-21/h1,3-4,8-9,22H,2,5-7,10-20H2,(H,25,28)/p+2/t22-/m0/s1