[3-tert-butyl-5-(diethylaminomethyl)-4-oxidanyl-phenyl]-(1-methylpyrrol-2-yl)methanone hydrochloride

Systemtic Name: [3-tert-butyl-5-(diethylaminomethyl)-4-oxidanyl-phenyl]-(1-methylpyrrol-2-yl)methanone hydrochloride Openeye Name: [3-tert-butyl-5-(diethylaminomethyl)-4-hydroxy-phenyl]-(1-methylpyrrol-2-yl)methanone hydrochloride CAS Name: [3-tert-butyl-5-(diethylaminomethyl)-4-hydroxyphenyl]-(1-methyl-2-pyrrolyl)methanone hydrochloride IUPAC Name: [3-tert-butyl-5-(diethylaminomethyl)-4-hydroxyphenyl]-(1-methylpyrrol-2-yl)methanone hydrochloride Traditional Name: [3-tert-butyl-5-(diethylaminomethyl)-4-hydroxy-phenyl]-(1-methylpyrrol-2-yl)methanone hydrochloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)C2=CC=CN2C)C(C)(C)C)O.Cl

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)C2=CC=CN2C)C(C)(C)C)O.Cl

InChI

InChI=1S/C21H30N2O2.ClH/c1-7-23(8-2)14-16-12-15(13-17(19(16)24)21(3,4)5)20(25)18-10-9-11-22(18)6;/h9-13,24H,7-8,14H2,1-6H3;1H