[(3S)-4-[(2R)-2-azanyl-4-oxidanyl-butyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone dihydrochloride

Systemtic Name: [(3S)-4-[(2R)-2-azanyl-4-oxidanyl-butyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone dihydrochloride Openeye Name: [(3S)-4-[(2R)-2-amino-4-hydroxy-butyl]-3-butyl-piperazin-1-yl]-(1-naphthyl)methanone dihydrochloride CAS Name: [(3S)-4-[(2R)-2-amino-4-hydroxybutyl]-3-butyl-1-piperazinyl]-(1-naphthalenyl)methanone dihydrochloride IUPAC Name: [(3S)-4-[(2R)-2-amino-4-hydroxybutyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone dihydrochloride Traditional Name: [(3S)-4-[(2R)-2-amino-4-hydroxy-butyl]-3-butyl-piperazino]-(1-naphthyl)methanone dihydrochloride Formula: C23H35Cl2N3O2 MolecularWeight: 456.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CCO)N)C(=O)C2=CC=CC3=CC=CC=C32.Cl.Cl

Isomeric SMILES

CCCC[C@H]1CN(CCN1C[C@@H](CCO)N)C(=O)C2=CC=CC3=CC=CC=C32.Cl.Cl

InChI

InChI=1S/C23H33N3O2.2ClH/c1-2-3-9-20-17-26(14-13-25(20)16-19(24)12-15-27)23(28)22-11-6-8-18-7-4-5-10-21(18)22;;/h4-8,10-11,19-20,27H,2-3,9,12-17,24H2,1H3;2*1H/t19-,20+;;/m1../s1