1-methyl-4-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]-1,4-diazepan-1-ium Openeye Name: 1-[5-[(4-benzyl-1-piperidyl)sulfonyl]pyridin-1-ium-2-yl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridin-1-iumyl]-1,4-diazepan-1-ium IUPAC Name: 1-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-1-ium-2-yl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[5-(4-benzylpiperidino)sulfonylpyridin-1-ium-2-yl]-4-methyl-1,4-diazepan-4-ium Formula: C23H34N4O2S+2 MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H32N4O2S/c1-25-12-5-13-26(17-16-25)23-9-8-22(19-24-23)30(28,29)27-14-10-21(11-15-27)18-20-6-3-2-4-7-20/h2-4,6-9,19,21H,5,10-18H2,1H3/p+2