methyl N-[[4-nitro-3-[1-(phenylmethyl)piperazin-1-ium-1-yl]phenyl]amino]carbamate

Systemtic Name: methyl N-[[4-nitro-3-[1-(phenylmethyl)piperazin-1-ium-1-yl]phenyl]amino]carbamate Openeye Name: methyl N-[3-(1-benzylpiperazin-1-ium-1-yl)-4-nitro-anilino]carbamate CAS Name: N-[4-nitro-3-[1-(phenylmethyl)-1-piperazin-1-iumyl]anilino]carbamic acid methyl ester IUPAC Name: methyl N-[3-(1-benzylpiperazin-1-ium-1-yl)-4-nitroanilino]carbamate Traditional Name: N-[3-(1-benzylpiperazin-1-ium-1-yl)-4-nitro-anilino]carbamic acid methyl ester Formula: C19H24N5O4+ MolecularWeight: 386.42496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC1=CC(=C(C=C1)[N+](=O)[O-])[N+]2(CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)NNC1=CC(=C(C=C1)[N+](=O)[O-])[N+]2(CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O4/c1-28-19(25)22-21-16-7-8-17(23(26)27)18(13-16)24(11-9-20-10-12-24)14-15-5-3-2-4-6-15/h2-8,13,20-21H,9-12,14H2,1H3/p+1