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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(C)NC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC[C@@H](C)NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

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