aminocarbonyl-[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidin-1-yl]carbonyl-oxidanyl-phenyl-azanium

Systemtic Name: aminocarbonyl-[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidin-1-yl]carbonyl-oxidanyl-phenyl-azanium Openeye Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidine-1-carbonyl]-carbamoyl-hydroxy-phenyl-ammonium CAS Name: [[4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-1-piperidinyl]-oxomethyl]-carbamoyl-hydroxy-phenylammonium IUPAC Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methylpiperidine-1-carbonyl]-carbamoyl-hydroxy-phenylazanium Traditional Name: [4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-methyl-piperidine-1-carbonyl]-carbamoyl-hydroxy-phenyl-ammonium Formula: C25H30N3O6S+ MolecularWeight: 500.5872

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)[N+](C3=CC=CC=C3)(C(=O)N)O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)[N+](C3=CC=CC=C3)(C(=O)N)O)C

InChI

InChI=1S/C25H29N3O6S/c1-3-4-18-34-21-10-12-22(13-11-21)35(32,33)19-25(2)14-16-27(17-15-25)24(30)28(31,23(26)29)20-8-6-5-7-9-20/h5-13,31H,14-19H2,1-2H3,(H-,26,29)/p+1