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

Systemtic Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-naphthalen-1-yloxy-propan-2-ol Openeye Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(1-naphthyloxy)propan-2-ol CAS Name: (2S)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-(1-naphthalenyloxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-naphthalen-1-yloxypropan-2-ol Traditional Name: (2S)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-(1-naphthoxy)propan-2-ol Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@@H](COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C24H28N2O3/c1-28-22-11-9-20(10-12-22)26-15-13-25(14-16-26)17-21(27)18-29-24-8-4-6-19-5-2-3-7-23(19)24/h2-12,21,27H,13-18H2,1H3/p+1/t21-/m0/s1