[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: [2-oxo-2-(propan-2-ylamino)ethyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-14(2)19-17(21)12-18-16-8-10-20(11-9-16)13-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3,(H,19,21)/p+2