[3-[[4-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [3-[[4-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-cyclohexyl-methyl-azanium Openeye Name: [3-[4-(azaniumylmethyl)anilino]-3-oxo-propyl]-cyclohexyl-methyl-ammonium CAS Name: [3-[4-(ammoniomethyl)anilino]-3-oxopropyl]-cyclohexyl-methylammonium IUPAC Name: [3-[4-(azaniumylmethyl)anilino]-3-oxopropyl]-cyclohexyl-methylazanium Traditional Name: [3-[4-(ammoniomethyl)anilino]-3-keto-propyl]-cyclohexyl-methyl-ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=C(C=C1)C[NH3+])C2CCCCC2

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=C(C=C1)C[NH3+])C2CCCCC2

InChI

InChI=1S/C17H27N3O/c1-20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21)/p+2