[1-cyclohexyl-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-butan-2-yl]-(propanoylsulfamoyl)-dipropyl-azanium

Systemtic Name: [1-cyclohexyl-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-butan-2-yl]-(propanoylsulfamoyl)-dipropyl-azanium Openeye Name: [1-(cyclohexylmethyl)-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-(propanoylsulfamoyl)-dipropyl-ammonium CAS Name: [1-cyclohexyl-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-(1-oxopropylsulfamoyl)-dipropylammonium IUPAC Name: [1-cyclohexyl-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-(propanoylsulfamoyl)-dipropylazanium Traditional Name: [1-(cyclohexylmethyl)-2-hydroxy-3-(m-anisylamino)propyl]-(propionylsulfamoyl)-dipropyl-ammonium Formula: C27H48N3O5S+ MolecularWeight: 526.75212

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(C(CC1CCCCC1)C(CNCC2=CC(=CC=C2)OC)O)S(=O)(=O)NC(=O)CC

Isomeric SMILES

CCC[N+](CCC)(C(CC1CCCCC1)C(CNCC2=CC(=CC=C2)OC)O)S(=O)(=O)NC(=O)CC

InChI

InChI=1S/C27H47N3O5S/c1-5-16-30(17-6-2,36(33,34)29-27(32)7-3)25(19-22-12-9-8-10-13-22)26(31)21-28-20-23-14-11-15-24(18-23)35-4/h11,14-15,18,22,25-26,28,31H,5-10,12-13,16-17,19-21H2,1-4H3/p+1