methyl-(phenylmethyl)-[3-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[(3S)-3-piperidin-1-iumyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]propyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CCC[NH2+]C1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)[C@H]1CCC[NH2+]C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-20(14-15-7-3-2-4-8-15)12-6-11-19-17(21)16-9-5-10-18-13-16/h2-4,7-8,16,18H,5-6,9-14H2,1H3,(H,19,21)/p+2/t16-/m0/s1