N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: [(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C21H33N5O3S+2 MolecularWeight: 435.58342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C21H31N5O3S/c1-24-11-13-26(14-12-24)30(27,28)18-7-8-21(22-16-18)23-17-19(20-6-5-15-29-20)25-9-3-2-4-10-25/h5-8,15-16,19H,2-4,9-14,17H2,1H3,(H,22,23)/p+2/t19-/m0/s1