1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one hydrochloride

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one hydrochloride Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one hydrochloride CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-5-phenyl-1-pentanone hydrochloride IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-5-phenylpentan-1-one hydrochloride Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-5-phenyl-pentan-1-one hydrochloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCCC2=CC=CC=C2)(CO)N.Cl

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCCC2=CC=CC=C2)(CO)N.Cl

InChI

InChI=1S/C21H30N2O2.ClH/c1-21(22,16-24)15-14-18-12-13-19(23(18)2)20(25)11-7-6-10-17-8-4-3-5-9-17;/h3-5,8-9,12-13,24H,6-7,10-11,14-16,22H2,1-2H3;1H