N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2,4-bis(methylsulfonyl)aniline

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2,4-bis(methylsulfonyl)aniline Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2,4-bis(methylsulfonyl)aniline CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2,4-bis(methylsulfonyl)aniline IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,4-bis(methylsulfonyl)aniline Traditional Name: (2,4-dimesylphenyl)-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C19H27N2O5S2+ MolecularWeight: 427.55808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)[NH+]3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C19H26N2O5S2/c1-27(22,23)15-8-9-16(19(13-15)28(2,24)25)20-14-17(18-7-6-12-26-18)21-10-4-3-5-11-21/h6-9,12-13,17,20H,3-5,10-11,14H2,1-2H3/p+1/t17-/m0/s1