(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[1-(2-furylmethyl)-4-piperidyl]-N-(4-isopropylphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[1-(2-furanylmethyl)-4-piperidinyl]-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[1-(2-furfuryl)-4-piperidyl]piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)C3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)C3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C24H35N3O/c1-19(2)20-7-9-21(10-8-20)25-22-5-3-13-27(17-22)23-11-14-26(15-12-23)18-24-6-4-16-28-24/h4,6-10,16,19,22-23,25H,3,5,11-15,17-18H2,1-2H3/p+1/t22-/m0/s1