1-[3-(2-chloranylphenoxy)propyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[3-(2-chloranylphenoxy)propyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[3-(2-chlorophenoxy)propyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[3-(2-chlorophenoxy)propyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[3-(2-chlorophenoxy)propyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[3-(2-chlorophenoxy)propyl]-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C23H26ClN2O3S+ MolecularWeight: 445.98214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H25ClN2O3S/c24-22-8-3-4-9-23(22)29-17-5-12-25-13-15-26(16-14-25)30(27,28)21-11-10-19-6-1-2-7-20(19)18-21/h1-4,6-11,18H,5,12-17H2/p+1