3,4-dimethyl-N-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C

InChI

InChI=1S/C21H30N4O3/c1-16-5-6-18(13-17(16)2)21(28)22-14-19(26)25-11-9-23(10-12-25)15-20(27)24-7-3-4-8-24/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H,22,28)/p+1