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

Systemtic Name: (2S)-N-methyl-2-piperazin-4-ium-1-yl-N-(2-pyridin-4-ylethyl)propanamide Openeye Name: (2S)-N-methyl-2-piperazin-4-ium-1-yl-N-[2-(4-pyridyl)ethyl]propanamide CAS Name: (2S)-N-methyl-2-(1-piperazin-4-iumyl)-N-(2-pyridin-4-ylethyl)propanamide IUPAC Name: (2S)-N-methyl-2-piperazin-4-ium-1-yl-N-(2-pyridin-4-ylethyl)propanamide Traditional Name: (2S)-N-methyl-2-piperazin-4-ium-1-yl-N-[2-(4-pyridyl)ethyl]propionamide Formula: C15H25N4O+ MolecularWeight: 277.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC1=CC=NC=C1)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC1=CC=NC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C15H24N4O/c1-13(19-11-8-17-9-12-19)15(20)18(2)10-5-14-3-6-16-7-4-14/h3-4,6-7,13,17H,5,8-12H2,1-2H3/p+1/t13-/m0/s1