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3-acetamido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

3-acetamido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name:3-acetamido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide
Openeye Name:3-acetamido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide
CAS Name:3-acetamido-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide
IUPAC Name:3-acetamido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide
Traditional Name:3-acetamido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide
Formula: C18H28N3O2+
MolecularWeight: 318.43382
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1CCC[NH+](C1)CCC2=CC=CC=C2


Isomeric SMILES

CC(=O)NCCC(=O)N[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2


InChI

InChI=1S/C18H27N3O2/c1-15(22)19-11-9-18(23)20-17-8-5-12-21(14-17)13-10-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,19,22)(H,20,23)/p+1/t17-/m0/s1


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