N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-N-methyl-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN(C)CC[NH+]3CCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN(C)CC[NH+]3CCCC3

InChI

InChI=1S/C22H34N4O2S/c1-3-29(27,28)22-23-18-21(19-24(2)16-17-25-13-7-8-14-25)26(22)15-9-12-20-10-5-4-6-11-20/h4-6,10-11,18H,3,7-9,12-17,19H2,1-2H3/p+1