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

Systemtic Name: [3-[[(3S)-1-cyclobutylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-[[(3S)-1-(cyclobutanecarbonyl)-3-piperidyl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-[[(3S)-1-[cyclobutyl(oxo)methyl]-3-piperidinyl]methoxy]phenyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-[[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]methoxy]phenyl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-[[(3S)-1-(cyclobutanecarbonyl)-3-piperidyl]methoxy]benzyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C25H41N3O2+2 MolecularWeight: 415.61194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC=C2)OCC3CCCN(C3)C(=O)C4CCC4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC=C2)OC[C@H]3CCCN(C3)C(=O)C4CCC4

InChI

InChI=1S/C25H39N3O2/c1-26-14-11-23(12-15-26)27(2)17-20-6-3-10-24(16-20)30-19-21-7-5-13-28(18-21)25(29)22-8-4-9-22/h3,6,10,16,21-23H,4-5,7-9,11-15,17-19H2,1-2H3/p+2/t21-/m0/s1