(3R)-1-(4-methylphenyl)-3-[(4-methylpiperazin-1-ium-1-yl)amino]-3-(4-nitrophenyl)propan-1-one

Systemtic Name: (3R)-1-(4-methylphenyl)-3-[(4-methylpiperazin-1-ium-1-yl)amino]-3-(4-nitrophenyl)propan-1-one Openeye Name: (3R)-3-[(4-methylpiperazin-1-ium-1-yl)amino]-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one CAS Name: (3R)-1-(4-methylphenyl)-3-[(4-methyl-1-piperazin-1-iumyl)amino]-3-(4-nitrophenyl)-1-propanone IUPAC Name: (3R)-1-(4-methylphenyl)-3-[(4-methylpiperazin-1-ium-1-yl)amino]-3-(4-nitrophenyl)propan-1-one Traditional Name: (3R)-3-[(4-methylpiperazin-1-ium-1-yl)amino]-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])N[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C2=CC=C(C=C2)[N+](=O)[O-])N[NH+]3CCN(CC3)C

InChI

InChI=1S/C21H26N4O3/c1-16-3-5-18(6-4-16)21(26)15-20(22-24-13-11-23(2)12-14-24)17-7-9-19(10-8-17)25(27)28/h3-10,20,22H,11-15H2,1-2H3/p+1/t20-/m1/s1