(3S)-N-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: (3-ethoxy-4-methoxy-benzyl)-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C22H30FN2O2+ MolecularWeight: 373.484203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2CCC[NH+](C2)CC3=CC=CC=C3F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C22H29FN2O2/c1-3-27-22-13-17(10-11-21(22)26-2)14-24-19-8-6-12-25(16-19)15-18-7-4-5-9-20(18)23/h4-5,7,9-11,13,19,24H,3,6,8,12,14-16H2,1-2H3/p+1/t19-/m0/s1