(2S)-N-[2-(2-methoxyphenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[2-(2-methoxyphenyl)ethyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1OC)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1OC)[NH+]2CCNCC2

InChI

InChI=1S/C16H25N3O2/c1-13(19-11-9-17-10-12-19)16(20)18-8-7-14-5-3-4-6-15(14)21-2/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1