1-[4-(3-nitrophenoxy)butyl]-4-(phenylmethyl)piperazine hydrochloride

Systemtic Name: 1-[4-(3-nitrophenoxy)butyl]-4-(phenylmethyl)piperazine hydrochloride Openeye Name: 1-benzyl-4-[4-(3-nitrophenoxy)butyl]piperazine hydrochloride CAS Name: 1-[4-(3-nitrophenoxy)butyl]-4-(phenylmethyl)piperazine hydrochloride IUPAC Name: 1-benzyl-4-[4-(3-nitrophenoxy)butyl]piperazine hydrochloride Traditional Name: 1-benzyl-4-[4-(3-nitrophenoxy)butyl]piperazine hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c25-24(26)20-9-6-10-21(17-20)27-16-5-4-11-22-12-14-23(15-13-22)18-19-7-2-1-3-8-19;/h1-3,6-10,17H,4-5,11-16,18H2;1H