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

Systemtic Name: (2S)-N-[(2-methoxyphenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[(2-methoxyphenyl)methyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[(2-methoxyphenyl)methyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(2-methoxyphenyl)methyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-o-anisyl-2-piperazin-1-ium-1-yl-propionamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)[NH+]2CCNCC2

InChI

InChI=1S/C15H23N3O2/c1-12(18-9-7-16-8-10-18)15(19)17-11-13-5-3-4-6-14(13)20-2/h3-6,12,16H,7-11H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1