1-[(3S)-3-methylpiperidin-1-yl]-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H33N3O3S/c1-18-5-4-10-24(16-18)22(26)17-23-11-13-25(14-12-23)29(27,28)21-9-8-19-6-2-3-7-20(19)15-21/h8-9,15,18H,2-7,10-14,16-17H2,1H3/p+1/t18-/m0/s1