1-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]-5-phenyl-pentan-1-one hydrochloride

Systemtic Name: 1-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]-5-phenyl-pentan-1-one hydrochloride Openeye Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-5-phenyl-pentan-1-one hydrochloride CAS Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-5-phenyl-1-pentanone hydrochloride IUPAC Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-5-phenylpentan-1-one hydrochloride Traditional Name: 1-[4-(3-amino-4-hydroxy-3-methylol-butyl)phenyl]-5-phenyl-pentan-1-one hydrochloride Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)C2=CC=C(C=C2)CCC(CO)(CO)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)C2=CC=C(C=C2)CCC(CO)(CO)N.Cl

InChI

InChI=1S/C22H29NO3.ClH/c23-22(16-24,17-25)15-14-19-10-12-20(13-11-19)21(26)9-5-4-8-18-6-2-1-3-7-18;/h1-3,6-7,10-13,24-25H,4-5,8-9,14-17,23H2;1H