1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C)C

InChI

InChI=1S/C21H29N3O2S/c1-15-16(2)18(4)21(19(5)17(15)3)27(25,26)24-12-10-23(11-13-24)14-20-8-6-7-9-22-20/h6-9H,10-14H2,1-5H3/p+1