1-(5-chloranylthiophen-2-yl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(3-phenoxypropyl)piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-(3-phenoxypropyl)piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(3-phenoxypropyl)piperazin-4-ium Formula: C17H22ClN2O3S2+ MolecularWeight: 401.95118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H21ClN2O3S2/c18-16-7-8-17(24-16)25(21,22)20-12-10-19(11-13-20)9-4-14-23-15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2/p+1