N-(phenylmethyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(phenylmethyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(24-17-19-6-2-1-3-7-19)18-25-12-14-26(15-13-25)30(28,29)22-11-10-20-8-4-5-9-21(20)16-22/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17-18H2,(H,24,27)/p+1