N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]-N-methyl-methanamine

Systemtic Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]-N-methyl-methanamine Openeye Name: 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-methyl-methanamine CAS Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]-N-methylmethanamine IUPAC Name: 1-[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-methylmethanamine Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-methyl-amine Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN(C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN(C)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CCOC

InChI

InChI=1S/C21H29N5O3S/c1-4-25-11-10-22-20(25)17-24(2)16-19-14-23-21(30(27,28)13-12-29-3)26(19)15-18-8-6-5-7-9-18/h5-11,14H,4,12-13,15-17H2,1-3H3/p+1