[5-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]furan-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]furan-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]-2-furyl]methyl-dimethyl-ammonium CAS Name: [5-[[[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]amino]-oxomethyl]-2-furanyl]methyl-dimethylammonium IUPAC Name: [5-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]furan-2-yl]methyl-dimethylazanium Traditional Name: [5-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]-2-furyl]methyl-dimethyl-ammonium Formula: C20H35N3O2+2 MolecularWeight: 349.5108

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(O1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(O1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C20H33N3O2/c1-22(2)15-18-11-12-19(25-18)20(24)21-16-8-7-13-23(14-16)17-9-5-3-4-6-10-17/h11-12,16-17H,3-10,13-15H2,1-2H3,(H,21,24)/p+2/t16-/m0/s1