(3-azanyl-3-oxidanylidene-propanoyl)-butanoyl-cyclohexyl-[2-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]ethyl]azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propanoyl)-butanoyl-cyclohexyl-[2-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]ethyl]azanium Openeye Name: (3-amino-3-oxo-propanoyl)-butanoyl-cyclohexyl-[2-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]ethyl]ammonium CAS Name: (3-amino-1,3-dioxopropyl)-cyclohexyl-[2-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]ethyl]-(1-oxobutyl)ammonium IUPAC Name: (3-amino-3-oxopropanoyl)-butanoyl-cyclohexyl-[2-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]azanium Traditional Name: (3-amino-3-keto-propanoyl)-butyryl-cyclohexyl-[2-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]ethyl]ammonium Formula: C28H44N3O4+ MolecularWeight: 486.66666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+](CCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)O)(C3CCCCC3)C(=O)CC(=O)N

Isomeric SMILES

CCCC(=O)[N+](CCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)O)(C3CCCCC3)C(=O)CC(=O)N

InChI

InChI=1S/C28H43N3O4/c1-4-9-26(34)31(27(35)19-25(29)33,23-11-6-5-7-12-23)17-16-30-15-14-28(3,21(2)20-30)22-10-8-13-24(32)18-22/h8,10,13,18,21,23H,4-7,9,11-12,14-17,19-20H2,1-3H3,(H2-,29,32,33)/p+1