1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-yl-ethanone dihydrochloride

Systemtic Name: 1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-yl-ethanone dihydrochloride Openeye Name: 1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]-1-piperidyl]-2-(1-naphthyl)ethanone dihydrochloride CAS Name: 1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]-1-piperidinyl]-2-(1-naphthalenyl)ethanone dihydrochloride IUPAC Name: 1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-2-naphthalen-1-ylethanone dihydrochloride Traditional Name: 1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidino]-2-(1-naphthyl)ethanone dihydrochloride Formula: C29H45Cl2N3O MolecularWeight: 522.5931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCCCCNCC2CCN(CC2)C(=O)CC3=CC=CC4=CC=CC=C43.Cl.Cl

Isomeric SMILES

C1CCC(CC1)CNCCCCNCC2CCN(CC2)C(=O)CC3=CC=CC4=CC=CC=C43.Cl.Cl

InChI

InChI=1S/C29H43N3O.2ClH/c33-29(21-27-13-8-12-26-11-4-5-14-28(26)27)32-19-15-25(16-20-32)23-31-18-7-6-17-30-22-24-9-2-1-3-10-24;;/h4-5,8,11-14,24-25,30-31H,1-3,6-7,9-10,15-23H2;2*1H