[4-(ethylamino)-3-nitro-phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(ethylamino)-3-nitro-phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(ethylamino)-3-nitrophenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(ethylamino)-3-nitrophenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-2-23-20-11-10-19(17-21(20)26(28)29)22(27)25-15-13-24(14-16-25)12-6-9-18-7-4-3-5-8-18/h3-11,17,23H,2,12-16H2,1H3/p+1/b9-6+