2-[4-[4-(2-methoxyethylamino)-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(2-methoxyethylamino)-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(2-methoxyethylamino)-3-nitro-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(2-methoxyethylamino)-3-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(2-methoxyethylamino)-3-nitro-benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H30N5O5+ MolecularWeight: 420.4827

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O5/c1-30-13-6-21-17-5-4-16(14-18(17)25(28)29)20(27)24-11-9-22(10-12-24)15-19(26)23-7-2-3-8-23/h4-5,14,21H,2-3,6-13,15H2,1H3/p+1