N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-methanamine

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-N-methyl-methanamine Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2-furylmethyl)piperidin-1-ium-3-yl]-N-methyl-methanamine CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-N-methylmethanamine IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-N-methylmethanamine Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-[[(3R)-1-(2-furfuryl)piperidin-1-ium-3-yl]methyl]-methyl-amine Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CN(C)CC2CCC[NH+](C2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1)C)CN(C)C[C@H]2CCC[NH+](C2)CC3=CC=CO3

InChI

InChI=1S/C18H28N4O/c1-14-18(15(2)20-19-14)13-21(3)10-16-6-4-8-22(11-16)12-17-7-5-9-23-17/h5,7,9,16H,4,6,8,10-13H2,1-3H3,(H,19,20)/p+1/t16-/m1/s1