cyclooctyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium Openeye Name: cyclooctyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: cyclooctyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]ammonium IUPAC Name: cyclooctyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H33N3O/c25-21(16-22-19-8-4-2-1-3-5-9-19)23-20-12-10-18(11-13-20)17-24-14-6-7-15-24/h10-13,19,22H,1-9,14-17H2,(H,23,25)/p+2