methyl-phenethyl-[(3S)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]azanium

Systemtic Name: methyl-phenethyl-[(3S)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-[(E)-3-(2-thienyl)prop-2-enoyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-[(E)-3-(2-thienyl)acryloyl]-3-piperidyl]ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H26N2OS/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/h2-4,6-8,10-12,16,19H,5,9,13-15,17H2,1H3/p+1/b12-11+/t19-/m0/s1