(3S)-1-butyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-butyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-butyl-N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-butyl-N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-butyl-N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-butyl-N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-5-keto-pyrrolidine-3-carboxamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCCN1C[C@H](CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C22H32N4O3/c1-3-5-10-26-16-18(15-20(26)27)21(28)23-19-8-6-17(7-9-19)22(29)25-13-11-24(4-2)12-14-25/h6-9,18H,3-5,10-16H2,1-2H3,(H,23,28)/p+1/t18-/m0/s1