N-[(2R)-4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[(2R)-4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]-5-nitro-pyridin-2-amine Openeye Name: N-[(1R)-1-methyl-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]-5-nitro-pyridin-2-amine CAS Name: N-[(2R)-4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butan-2-yl]-5-nitro-2-pyridinamine IUPAC Name: N-[(2R)-4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butan-2-yl]-5-nitropyridin-2-amine Traditional Name: [(1R)-1-methyl-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]-(5-nitro-2-pyridyl)amine Formula: C20H28N5O2+ MolecularWeight: 370.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(C)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC[C@@H](C)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O2/c1-16-4-3-5-18(14-16)24-12-10-23(11-13-24)9-8-17(2)22-20-7-6-19(15-21-20)25(26)27/h3-7,14-15,17H,8-13H2,1-2H3,(H,21,22)/p+1/t17-/m1/s1