4-[(3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]phenol

Systemtic Name: 4-[(3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]phenol Openeye Name: 4-[(3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]phenol CAS Name: 4-[(3R)-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]butyl]phenol IUPAC Name: 4-[(3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]phenol Traditional Name: 4-[(3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butyl]phenol Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3/c1-16(2-3-17-4-10-20(24)11-5-17)21-12-14-22(15-13-21)18-6-8-19(9-7-18)23(25)26/h4-11,16,24H,2-3,12-15H2,1H3/p+1/t16-/m1/s1