4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]butan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]propyl]benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]butan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]butan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]propyl]benzamide Formula: C24H31ClN3O2+ MolecularWeight: 428.97484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NC[C@@H](C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H30ClN3O2/c1-17(2)22(27-23(29)19-10-12-20(25)13-11-19)24(30)26-16-21(28-14-6-7-15-28)18-8-4-3-5-9-18/h3-5,8-13,17,21-22H,6-7,14-16H2,1-2H3,(H,26,30)(H,27,29)/p+1/t21-,22-/m0/s1