4-chloranyl-N-[3-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-chloro-N-[3-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-chloro-N-[3-[4-[2-(diethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-chloro-N-[3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-chloro-N-[3-[4-[2-(diethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C20H30ClN4O3+ MolecularWeight: 409.9302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN4O3/c1-3-24(4-2)19(27)15-23-11-13-25(14-12-23)18(26)9-10-22-20(28)16-5-7-17(21)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,22,28)/p+1