N-(1-azabicyclo[2.2.2]octan-3-yl)-5-azanyl-naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-azanyl-naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 5-amino-N-quinuclidin-3-yl-naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-naphthalenecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-amino-N-quinuclidin-3-yl-2-naphthamide; tosylic acid Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)C(=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)C(=CC=C4)N

InChI

InChI=1S/C18H21N3O.C7H8O3S/c19-16-3-1-2-13-10-14(4-5-15(13)16)18(22)20-17-11-21-8-6-12(17)7-9-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10,12,17H,6-9,11,19H2,(H,20,22);2-5H,1H3,(H,8,9,10)