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

Systemtic Name: 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1-sulfonic acid Openeye Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1-sulfonic acid CAS Name: 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; 1-naphthalenesulfonic acid IUPAC Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1-sulfonic acid Traditional Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indole; naphthalene-1-sulfonic acid Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C19H20N2.C10H8O3S/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h2-10H,11-14H2,1H3;1-7H,(H,11,12,13)