N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ium-1-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ium-1-yl-cyclohexane-1-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ium-1-yl-cyclohexanecarboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-1-(1-pyrrolidin-1-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ium-1-ylcyclohexane-1-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ium-1-yl-cyclohexanecarboxamide Formula: C22H43N4O+3 MolecularWeight: 379.60302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3(CCCCC3)[NH+]4CCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3(CCCCC3)[NH+]4CCCC4

InChI

InChI=1S/C22H40N4O/c1-24-16-9-20(10-17-24)25-13-7-8-19(18-25)23-21(27)22(11-3-2-4-12-22)26-14-5-6-15-26/h19-20H,2-18H2,1H3,(H,23,27)/p+3/t19-/m0/s1