[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(5-isobutyl-2-thienyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[[5-(2-methylpropyl)-2-thiophenyl]methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-[(5-isobutyl-2-thienyl)methyl]ammonium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(S1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(S1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H30N4OS/c1-16(2)13-19-6-7-20(27-19)15-22-14-18-5-4-8-23-21(18)25-11-9-24(10-12-25)17(3)26/h4-8,16,22H,9-15H2,1-3H3/p+1