3-[4-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CCC(=O)N

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CCC(=O)N

InChI

InChI=1S/C20H29N5O3S/c1-2-29(27,28)20-22-14-18(25(20)15-17-6-4-3-5-7-17)16-24-12-10-23(11-13-24)9-8-19(21)26/h3-7,14H,2,8-13,15-16H2,1H3,(H2,21,26)/p+1