N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methoxy-N,3-dimethyl-benzamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methoxy-N,3-dimethyl-benzamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methoxy-N,3-dimethyl-benzamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-4-methoxy-N,3-dimethylbenzamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-methoxy-N,3-dimethylbenzamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-4-methoxy-N,3-dimethyl-benzamide Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C22H27FN2O2/c1-16-13-17(10-11-21(16)27-3)22(26)24(2)19-8-6-12-25(15-19)14-18-7-4-5-9-20(18)23/h4-5,7,9-11,13,19H,6,8,12,14-15H2,1-3H3/p+1/t19-/m0/s1