[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Openeye Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]ammonium CAS Name: [1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]ammonium IUPAC Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]ammonium Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C(C)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+][C@H](C)CC4=CC=CS4

InChI

InChI=1S/C26H36N4O3S/c1-3-33-26(32)30-16-14-29(15-17-30)25(31)21-6-8-23(9-7-21)28-12-10-22(11-13-28)27-20(2)19-24-5-4-18-34-24/h4-9,18,20,22,27H,3,10-17,19H2,1-2H3/p+1/t20-/m1/s1