[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl]ammonium CAS Name: [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl]-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl]ammonium Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(C)C(=O)NC1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH2+]CCCOC(C)C

InChI

InChI=1S/C20H33N3O2/c1-16(2)25-15-7-12-21-17(3)20(24)22-18-8-10-19(11-9-18)23-13-5-4-6-14-23/h8-11,16-17,21H,4-7,12-15H2,1-3H3,(H,22,24)/p+1/t17-/m0/s1