[3-[[(3S)-1-cyclohexylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-[[(3S)-1-cyclohexylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-[[(3S)-1-(cyclohexanecarbonyl)-3-piperidyl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-[[(3S)-1-[cyclohexyl(oxo)methyl]-3-piperidinyl]methoxy]phenyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-[[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-[[(3S)-1-(cyclohexanecarbonyl)-3-piperidyl]methoxy]benzyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C27H45N3O2+2 MolecularWeight: 443.6651

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC=C2)OCC3CCCN(C3)C(=O)C4CCCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC=C2)OC[C@H]3CCCN(C3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H43N3O2/c1-28-16-13-25(14-17-28)29(2)19-22-8-6-12-26(18-22)32-21-23-9-7-15-30(20-23)27(31)24-10-4-3-5-11-24/h6,8,12,18,23-25H,3-5,7,9-11,13-17,19-21H2,1-2H3/p+2/t23-/m0/s1