1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepan-1-ium

Systemtic Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepan-1-ium Openeye Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepan-1-ium CAS Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-phenyl-1,4-diazepan-1-ium IUPAC Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepan-1-ium Traditional Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-1,4-diazepan-1-ium Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H32N4O3S/c1-29-15-14-26-21(16-23-22(26)30(27,28)18-19-8-9-19)17-24-10-5-11-25(13-12-24)20-6-3-2-4-7-20/h2-4,6-7,16,19H,5,8-15,17-18H2,1H3/p+1