4-nitro-N-prop-2-enyl-N-[4-(1-prop-2-enylpyrrolidin-1-ium-1-yl)butyl]aniline

Systemtic Name: 4-nitro-N-prop-2-enyl-N-[4-(1-prop-2-enylpyrrolidin-1-ium-1-yl)butyl]aniline Openeye Name: N-allyl-N-[4-(1-allylpyrrolidin-1-ium-1-yl)butyl]-4-nitro-aniline CAS Name: 4-nitro-N-prop-2-enyl-N-[4-(1-prop-2-enyl-1-pyrrolidin-1-iumyl)butyl]aniline IUPAC Name: 4-nitro-N-prop-2-enyl-N-[4-(1-prop-2-enylpyrrolidin-1-ium-1-yl)butyl]aniline Traditional Name: allyl-[4-(1-allylpyrrolidin-1-ium-1-yl)butyl]-(4-nitrophenyl)amine Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N3O2/c1-3-13-21(19-9-11-20(12-10-19)22(24)25)14-5-6-16-23(15-4-2)17-7-8-18-23/h3-4,9-12H,1-2,5-8,13-18H2/q+1