[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-3-18-17(21)14(2)19-16-9-11-20(12-10-16)13-15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-13H2,1-2H3,(H,18,21)/p+2/t14-/m0/s1