dimethyl-[(1S)-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1S)-2-[(1-isopropylpiperidin-1-ium-4-yl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1S)-2-[(1-isopropylpiperidin-1-ium-4-yl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H31N3S+2 MolecularWeight: 297.50244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC[C@@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C16H29N3S/c1-13(2)19-9-7-14(8-10-19)17-12-15(18(3)4)16-6-5-11-20-16/h5-6,11,13-15,17H,7-10,12H2,1-4H3/p+2/t15-/m0/s1