3-[[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(cyclopropylmethylamino)-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[2-(cyclopropylmethylamino)-2-oxoethyl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(cyclopropylmethylamino)-2-oxoethyl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(cyclopropylmethylamino)-2-keto-ethyl]ammonio]propyl]-methyl-ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH2+]CC(=O)NCC1CC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC[NH2+]CC(=O)NCC1CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-20(14-16-6-3-2-4-7-16)11-5-10-18-13-17(21)19-12-15-8-9-15/h2-4,6-7,15,18H,5,8-14H2,1H3,(H,19,21)/p+2