(2S)-N-methyl-N-phenyl-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-methyl-N-phenyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-methyl-N-phenyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-methyl-N-phenyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-methyl-N-phenyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-methyl-N-phenyl-2-piperazin-4-ium-1-yl-propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O/c1-12(17-10-8-15-9-11-17)14(18)16(2)13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3/p+1/t12-/m0/s1