(1S)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-N-(pyridin-4-ylmethyl)-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)cyclohex-3-ene-1-carboxamide Formula: C25H40N4O+2 MolecularWeight: 412.6113

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)C4CCC=CC4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)[C@H]4CCC=CC4

InChI

InChI=1S/C25H38N4O/c1-27-15-11-24(12-16-27)28-17-9-22(10-18-28)20-29(19-21-7-13-26-14-8-21)25(30)23-5-3-2-4-6-23/h2-3,7-8,13-14,22-24H,4-6,9-12,15-20H2,1H3/p+2/t23-/m1/s1