(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-propargyloxy-propan-2-ol Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COCC#C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C[C@@H](COCC#C)O

InChI

InChI=1S/C17H23ClN2O2/c1-3-10-22-13-16(21)12-19-6-8-20(9-7-19)17-11-15(18)5-4-14(17)2/h1,4-5,11,16,21H,6-10,12-13H2,2H3/t16-/m0/s1