1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3-methoxy-4-nitro-phenyl)piperazine hydrochloride

Systemtic Name: 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3-methoxy-4-nitro-phenyl)piperazine hydrochloride Openeye Name: 1-(2-chroman-4-ylethyl)-4-(3-methoxy-4-nitro-phenyl)piperazine hydrochloride CAS Name: 1-[2-(3,4-dihydro-2H-1-benzopyran-4-yl)ethyl]-4-(3-methoxy-4-nitrophenyl)piperazine hydrochloride IUPAC Name: 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3-methoxy-4-nitrophenyl)piperazine hydrochloride Traditional Name: 1-(2-chroman-4-ylethyl)-4-(3-methoxy-4-nitro-phenyl)piperazine hydrochloride Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(CC2)CCC3CCOC4=CC=CC=C34)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN(CC2)CCC3CCOC4=CC=CC=C34)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H27N3O4.ClH/c1-28-22-16-18(6-7-20(22)25(26)27)24-13-11-23(12-14-24)10-8-17-9-15-29-21-5-3-2-4-19(17)21;/h2-7,16-17H,8-15H2,1H3;1H