N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-yl]pyridin-2-amine

Systemtic Name: N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-yl]pyridin-2-amine Openeye Name: N-[(1S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-ethyl]pyridin-2-amine CAS Name: N-[(2S)-1-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propan-2-yl]-2-pyridinamine IUPAC Name: N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-yl]pyridin-2-amine Traditional Name: [(1S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-ethyl]-(2-pyridyl)amine Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC)NC3=CC=CC=N3

Isomeric SMILES

C[C@@H](C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC)NC3=CC=CC=N3

InChI

InChI=1S/C19H26N4O/c1-16(21-19-8-3-4-9-20-19)15-22-10-12-23(13-11-22)17-6-5-7-18(14-17)24-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,20,21)/p+1/t16-/m0/s1