3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine; naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine; naphthalene-1,5-disulfonic acid Openeye Name: 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine; naphthalene-1,5-disulfonic acid CAS Name: 3-[3-(2-methoxyphenoxy)-1-pyrrolidinyl]-1-propanamine; naphthalene-1,5-disulfonic acid IUPAC Name: 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine; naphthalene-1,5-disulfonic acid Traditional Name: 3-[3-(2-methoxyphenoxy)pyrrolidino]propylamine; naphthalene-1,5-disulfonic acid Formula: C24H30N2O8S2 MolecularWeight: 538.6336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2CCN(C2)CCCN.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1OC2CCN(C2)CCCN.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C14H22N2O2.C10H8O6S2/c1-17-13-5-2-3-6-14(13)18-12-7-10-16(11-12)9-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2-3,5-6,12H,4,7-11,15H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)