1-[(2S)-2-ethylpiperidin-1-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H31N3O3S/c1-2-21-9-5-6-12-26(21)23(27)18-24-13-15-25(16-14-24)30(28,29)22-11-10-19-7-3-4-8-20(19)17-22/h3-4,7-8,10-11,17,21H,2,5-6,9,12-16,18H2,1H3/p+1/t21-/m0/s1