[(1S)-1-(3-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(1S)-1-(3-methoxyphenyl)ethyl]ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)ethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[(1S)-1-(3-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=C2)OC

Isomeric SMILES

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

InChI

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