(2S)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propan-2-amine

Systemtic Name: (2S)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propan-2-amine Openeye Name: (2S)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propan-2-amine CAS Name: (2S)-1-(4-methoxyphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propanamine IUPAC Name: (2S)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)propan-2-amine Traditional Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)NCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)OC)NCC[NH+]2CCCCC2

InChI

InChI=1S/C17H28N2O/c1-15(14-16-6-8-17(20-2)9-7-16)18-10-13-19-11-4-3-5-12-19/h6-9,15,18H,3-5,10-14H2,1-2H3/p+1/t15-/m0/s1