4-ethyl-N-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-ethyl-N-(1-naphthylmethyl)-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(1-naphthalenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-(1-naphthylmethyl)-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)N(CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N(CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O3S/c1-3-26-15-17-27(18-16-26)25(29)28(32(30,31)23-13-11-20(2)12-14-23)19-22-9-6-8-21-7-4-5-10-24(21)22/h4-14H,3,15-19H2,1-2H3/p+1