[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Openeye Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(3-thienyl)ethyl]ammonium CAS Name: [1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-[(2R)-1-(3-thiophenyl)propan-2-yl]ammonium IUPAC Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Traditional Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(3-thienyl)ethyl]ammonium Formula: C25H38N4OS+2 MolecularWeight: 442.66042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C(C)CC4=CSC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+][C@H](C)CC4=CSC=C4

InChI

InChI=1S/C25H36N4OS/c1-3-27-13-15-29(16-14-27)25(30)22-4-6-24(7-5-22)28-11-8-23(9-12-28)26-20(2)18-21-10-17-31-19-21/h4-7,10,17,19-20,23,26H,3,8-9,11-16,18H2,1-2H3/p+2/t20-/m1/s1