N-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carboxamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)N3CC[NH+](CC3)CCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)N3CC[NH+](CC3)CCO)C

InChI

InChI=1S/C19H28N4O3/c1-14-3-4-17(11-15(14)2)23-13-16(12-18(23)25)20-19(26)22-7-5-21(6-8-22)9-10-24/h3-4,11,16,24H,5-10,12-13H2,1-2H3,(H,20,26)/p+1/t16-/m0/s1