(3S)-1-[(2-fluorophenyl)methyl]-N-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-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]-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-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]-methyl-amine Formula: C21H30FN4+ MolecularWeight: 357.488103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)C2CCC[NH+](C2)CC3=CC=CC=C3F)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4/c1-4-11-26-15-19(17(2)23-26)13-24(3)20-9-7-12-25(16-20)14-18-8-5-6-10-21(18)22/h4-6,8,10,15,20H,1,7,9,11-14,16H2,2-3H3/p+1/t20-/m0/s1