(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-isopropylphenyl)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCC[NH+](C2)CC3=CC=C(O3)COC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CC=C(O3)COC

InChI

InChI=1S/C21H30N2O2/c1-16(2)17-6-8-18(9-7-17)22-19-5-4-12-23(13-19)14-20-10-11-21(25-20)15-24-3/h6-11,16,19,22H,4-5,12-15H2,1-3H3/p+1/t19-/m0/s1