[(1S)-1-(2-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(1S)-1-(2-methoxyphenyl)ethyl]ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)ethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[(1S)-1-(2-methoxyphenyl)ethyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]C(C)C2=CC=CC=C2OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)[NH2+]C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C17H28N2O/c1-13(2)19-11-9-15(10-12-19)18-14(3)16-7-5-6-8-17(16)20-4/h5-8,13-15,18H,9-12H2,1-4H3/p+2/t14-/m0/s1