N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-phenyl-prop-2-ynamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-phenyl-prop-2-ynamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-phenyl-prop-2-ynamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-phenyl-2-propynamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-phenylprop-2-ynamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-phenyl-propiolamide Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c24-21(15-14-18-9-4-3-5-10-18)22-19-11-8-16-23(17-19)20-12-6-1-2-7-13-20/h3-5,9-10,19-20H,1-2,6-8,11-13,16-17H2,(H,22,24)/p+1/t19-/m0/s1