[4-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone

Systemtic Name: [4-[(2S)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone Openeye Name: [4-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone CAS Name: [4-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1-piperazin-4-iumyl]-cyclopropylmethanone IUPAC Name: [4-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-4-ium-1-yl]-cyclopropylmethanone Traditional Name: [4-[(2S)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CC(COCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)C[C@@H](COCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H25ClN2O3/c19-16-5-1-14(2-6-16)12-24-13-17(22)11-20-7-9-21(10-8-20)18(23)15-3-4-15/h1-2,5-6,15,17,22H,3-4,7-13H2/p+1/t17-/m0/s1