2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid

Systemtic Name: 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid Openeye Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid CAS Name: 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid IUPAC Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid Traditional Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indole; naphthalene-1,5-disulfonic acid Formula: C48H48N4O6S2 MolecularWeight: 841.04792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/2C19H20N2.C10H8O6S2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)