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

Systemtic Name: [(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C19H33N3O2+2 MolecularWeight: 335.48422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH2+]CC(C1=CC=C(C=C1)OC)[NH+]2CCCCC2

Isomeric SMILES

CC(C)NC(=O)C[NH2+]C[C@H](C1=CC=C(C=C1)OC)[NH+]2CCCCC2

InChI

InChI=1S/C19H31N3O2/c1-15(2)21-19(23)14-20-13-18(22-11-5-4-6-12-22)16-7-9-17(24-3)10-8-16/h7-10,15,18,20H,4-6,11-14H2,1-3H3,(H,21,23)/p+2/t18-/m1/s1