N-methyl-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-4-nitro-aniline

Systemtic Name: N-methyl-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-4-nitro-aniline Openeye Name: N-methyl-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-4-nitro-aniline CAS Name: N-methyl-N-[4-(1-methyl-1-pyrrolidin-1-iumyl)butyl]-4-nitroaniline IUPAC Name: N-methyl-N-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-4-nitroaniline Traditional Name: methyl-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-(4-nitrophenyl)amine Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[N+]1(CCCC1)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC[N+]1(CCCC1)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H26N3O2/c1-17(15-7-9-16(10-8-15)18(20)21)11-3-4-12-19(2)13-5-6-14-19/h7-10H,3-6,11-14H2,1-2H3/q+1