dimethyl-(2-thiophen-3-ylethyl)-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azanium

Systemtic Name: dimethyl-(2-thiophen-3-ylethyl)-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azanium Openeye Name: dimethyl-[2-(3-thienyl)ethyl]-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonium CAS Name: dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-4-piperidinyl]-[2-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-(2-thiophen-3-ylethyl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]azanium Traditional Name: dimethyl-[2-(3-thienyl)ethyl]-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonium Formula: C27H31N2O2S+ MolecularWeight: 447.61224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CSC=C1)C2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[N+](C)(CCC1=CSC=C1)C2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H31N2O2S/c1-29(2,17-13-20-14-18-32-19-20)21-11-15-28(16-12-21)27(30)26-22-7-3-5-9-24(22)31-25-10-6-4-8-23(25)26/h3-10,14,18-19,21,26H,11-13,15-17H2,1-2H3/q+1