2-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanol Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCN(CC3)CCO

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C21H32N4O3S/c1-2-29(27,28)21-22-17-20(18-24-13-11-23(12-14-24)15-16-26)25(21)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,17,26H,2,6,9-16,18H2,1H3/p+1