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3-acetamido-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]benzamide

3-acetamido-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]benzamide

Systemtic Name:3-acetamido-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]benzamide
Openeye Name:3-acetamido-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]benzamide
CAS Name:3-acetamido-N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]benzamide
IUPAC Name:3-acetamido-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]benzamide
Traditional Name:3-acetamido-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]benzamide
Formula: C21H32N3O2+
MolecularWeight: 358.49768
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3


Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3


InChI

InChI=1S/C21H31N3O2/c1-16(25)22-18-9-6-8-17(14-18)21(26)23-19-10-7-13-24(15-19)20-11-4-2-3-5-12-20/h6,8-9,14,19-20H,2-5,7,10-13,15H2,1H3,(H,22,25)(H,23,26)/p+1/t19-/m0/s1


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