2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]amino]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]amino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]carbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-2-(1-pyrrolidin-1-iumyl)propyl]amino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]amino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-methyl-1-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]carbamoyl]propyl]benzamide Formula: C19H29ClN3O2+ MolecularWeight: 366.90546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C)[NH+]1CCCC1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](CNC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1Cl)[NH+]2CCCC2

InChI

InChI=1S/C19H28ClN3O2/c1-13(2)17(22-18(24)15-8-4-5-9-16(15)20)19(25)21-12-14(3)23-10-6-7-11-23/h4-5,8-9,13-14,17H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,24)/p+1/t14-,17-/m0/s1