[(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-yl-methanone dihydrochloride

Systemtic Name: [(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-yl-methanone dihydrochloride Openeye Name: [(3S)-3-butyl-4-(3-pyridylmethyl)piperazin-1-yl]-(1-naphthyl)methanone dihydrochloride CAS Name: [(3S)-3-butyl-4-(3-pyridinylmethyl)-1-piperazinyl]-(1-naphthalenyl)methanone dihydrochloride IUPAC Name: [(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone dihydrochloride Traditional Name: [(3S)-3-butyl-4-(3-pyridylmethyl)piperazino]-(1-naphthyl)methanone dihydrochloride Formula: C25H31Cl2N3O MolecularWeight: 460.43914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43.Cl.Cl

Isomeric SMILES

CCCC[C@H]1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43.Cl.Cl

InChI

InChI=1S/C25H29N3O.2ClH/c1-2-3-11-22-19-28(16-15-27(22)18-20-8-7-14-26-17-20)25(29)24-13-6-10-21-9-4-5-12-23(21)24;;/h4-10,12-14,17,22H,2-3,11,15-16,18-19H2,1H3;2*1H/t22-;;/m0../s1