(2S)-1-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-(3-chloro-4-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chloro-4-methylphenyl)-1-piperazin-1-iumyl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chloro-4-methylphenyl)piperazin-1-ium-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: (2S)-1-[4-(3-chloro-4-methyl-phenyl)piperazin-1-ium-1-yl]-3-(2-naphthoxy)propan-2-ol Formula: C24H28ClN2O2+ MolecularWeight: 411.94432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC4=CC=CC=C4C=C3)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC[NH+](CC2)C[C@@H](COC3=CC4=CC=CC=C4C=C3)O)Cl

InChI

InChI=1S/C24H27ClN2O2/c1-18-6-8-21(15-24(18)25)27-12-10-26(11-13-27)16-22(28)17-29-23-9-7-19-4-2-3-5-20(19)14-23/h2-9,14-15,22,28H,10-13,16-17H2,1H3/p+1/t22-/m0/s1