1-[8-butyl-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]urea

Systemtic Name: 1-[8-butyl-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]urea Openeye Name: [8-butyl-2-methyl-4-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]urea CAS Name: [8-butyl-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]urea IUPAC Name: [8-butyl-2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]urea Traditional Name: [8-butyl-2-methyl-4-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]urea Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1C[N+](CC2C3=CC=C(C=C3)C)(C)NC(=O)N

Isomeric SMILES

CCCCC1=CC=CC2=C1C[N+](CC2C3=CC=C(C=C3)C)(C)NC(=O)N

InChI

InChI=1S/C22H29N3O/c1-4-5-7-17-8-6-9-19-20(17)14-25(3,24-22(23)26)15-21(19)18-12-10-16(2)11-13-18/h6,8-13,21H,4-5,7,14-15H2,1-3H3,(H2-,23,24,26)/p+1