N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-acetamide CAS Name: 2-(4-acetyl-1-piperazinyl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxoacetamide IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxoacetamide Traditional Name: 2-(4-acetylpiperazino)-N-[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-keto-acetamide Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C22H33N5O3/c1-17(28)25-12-14-27(15-13-25)22(30)21(29)23-16-20(26-10-4-5-11-26)18-6-8-19(9-7-18)24(2)3/h6-9,20H,4-5,10-16H2,1-3H3,(H,23,29)/p+1/t20-/m1/s1