dimethyl-[1-[[[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]carbonylamino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]carbonylamino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carbonyl]amino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-oxomethyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carbonyl]amino]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[[(3S)-1-(1-methylpiperidin-1-ium-4-yl)nipecotoyl]amino]methyl]cyclohexyl]ammonium Formula: C21H42N4O+2 MolecularWeight: 366.58438

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NCC3(CCCCC3)[NH+](C)C

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3(CCCCC3)[NH+](C)C

InChI

InChI=1S/C21H40N4O/c1-23(2)21(11-5-4-6-12-21)17-22-20(26)18-8-7-13-25(16-18)19-9-14-24(3)15-10-19/h18-19H,4-17H2,1-3H3,(H,22,26)/p+2/t18-/m0/s1