methyl-phenethyl-[(3S)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-[3-(2-thienyl)propanoyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-(1-oxo-3-thiophen-2-ylpropyl)-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(3S)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-[3-(2-thienyl)propanoyl]-3-piperidyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)CCC3=CC=CS3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCC3=CC=CS3

InChI

InChI=1S/C21H28N2OS/c1-22(15-13-18-7-3-2-4-8-18)19-9-5-14-23(17-19)21(24)12-11-20-10-6-16-25-20/h2-4,6-8,10,16,19H,5,9,11-15,17H2,1H3/p+1/t19-/m0/s1