3-(4-ethylphenoxy)-1-(4-pyridin-3-ylpiperidin-1-yl)propan-1-ol; naphthalene-1-sulfonic acid

Systemtic Name: 3-(4-ethylphenoxy)-1-(4-pyridin-3-ylpiperidin-1-yl)propan-1-ol; naphthalene-1-sulfonic acid Openeye Name: 3-(4-ethylphenoxy)-1-[4-(3-pyridyl)-1-piperidyl]propan-1-ol; naphthalene-1-sulfonic acid CAS Name: 3-(4-ethylphenoxy)-1-[4-(3-pyridinyl)-1-piperidinyl]-1-propanol; 1-naphthalenesulfonic acid IUPAC Name: 3-(4-ethylphenoxy)-1-(4-pyridin-3-ylpiperidin-1-yl)propan-1-ol; naphthalene-1-sulfonic acid Traditional Name: 3-(4-ethylphenoxy)-1-[4-(3-pyridyl)piperidino]propan-1-ol; naphthalene-1-sulfonic acid Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCC(N2CCC(CC2)C3=CN=CC=C3)O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCC(N2CCC(CC2)C3=CN=CC=C3)O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C21H28N2O2.C10H8O3S/c1-2-17-5-7-20(8-6-17)25-15-11-21(24)23-13-9-18(10-14-23)19-4-3-12-22-16-19;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h3-8,12,16,18,21,24H,2,9-11,13-15H2,1H3;1-7H,(H,11,12,13)