(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-propanamide CAS Name: (2S)-2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-isopropyl-propionamide Formula: C17H27ClN3O+ MolecularWeight: 324.86878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CCN(CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CCN(CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H26ClN3O/c1-13(2)19-17(22)14(3)21-9-7-20(8-10-21)12-15-5-4-6-16(18)11-15/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1