N,N-dimethyl-4-[(1R)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]aniline

Systemtic Name: N,N-dimethyl-4-[(1R)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]aniline Openeye Name: N,N-dimethyl-4-[(1R)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]aniline CAS Name: N,N-dimethyl-4-[(1R)-2-methyl-1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propyl]aniline IUPAC Name: N,N-dimethyl-4-[(1R)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]aniline Traditional Name: dimethyl-[4-[(1R)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]phenyl]amine Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-17(2)22(18-5-7-19(8-6-18)23(3)4)25-15-13-24(14-16-25)20-9-11-21(12-10-20)26(27)28/h5-12,17,22H,13-16H2,1-4H3/p+1/t22-/m1/s1