(3-cyclopentyloxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (3-cyclopentyloxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [3-(cyclopentoxy)phenyl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (3-cyclopentyloxyphenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (3-cyclopentyloxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [3-(cyclopentoxy)benzyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N4O/c1-2-9-19(8-1)26-20-10-3-6-17(14-20)15-24-18-7-4-13-25(16-18)21-22-11-5-12-23-21/h3,5-6,10-12,14,18-19,24H,1-2,4,7-9,13,15-16H2/p+1/t18-/m0/s1