1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-1-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-1-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-(2-chroman-4-ylethyl)-1-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[2-(3,4-dihydro-2H-1-benzopyran-4-yl)ethyl]-1-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-1-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-chroman-4-ylethyl)-1-(4-nitrophenyl)piperazin-1-ium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1CC[N+]3(CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2C1CC[N+]3(CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N3O3/c25-23(26)18-5-7-19(8-6-18)24(14-11-22-12-15-24)13-9-17-10-16-27-21-4-2-1-3-20(17)21/h1-8,17,22H,9-16H2/q+1