(3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (1-allyl-3-methyl-pyrazol-4-yl)methyl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C20H28FN4+ MolecularWeight: 343.461523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2CCC[NH+](C2)CC3=CC=CC=C3F)CC=C

Isomeric SMILES

CC1=NN(C=C1CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)CC=C

InChI

InChI=1S/C20H27FN4/c1-3-10-25-14-18(16(2)23-25)12-22-19-8-6-11-24(15-19)13-17-7-4-5-9-20(17)21/h3-5,7,9,14,19,22H,1,6,8,10-13,15H2,2H3/p+1/t19-/m0/s1