(2S)-N-cyclopropyl-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[(3,4-dichlorophenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(3,4-dichlorobenzyl)piperazin-1-ium-1-yl]propionamide Formula: C17H24Cl2N3O+ MolecularWeight: 357.29796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H23Cl2N3O/c1-12(17(23)20-14-3-4-14)22-8-6-21(7-9-22)11-13-2-5-15(18)16(19)10-13/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,20,23)/p+1/t12-/m0/s1