(3S)-N-[(4-cyclopentyloxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(4-cyclopentyloxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[[4-(cyclopentoxy)phenyl]methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(4-cyclopentyloxyphenyl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(4-cyclopentyloxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [4-(cyclopentoxy)benzyl]-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)CNC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)CN[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H31N3O/c1-2-9-22(8-1)27-23-12-10-19(11-13-23)16-25-21-7-5-15-26(18-21)17-20-6-3-4-14-24-20/h3-4,6,10-14,21-22,25H,1-2,5,7-9,15-18H2/p+1/t21-/m0/s1