(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]azanium

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]azanium Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]ammonium CAS Name: [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]ammonium IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]azanium Traditional Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]ammonium Formula: C27H39N4O3S+ MolecularWeight: 499.68856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C(C)C)[NH2+]CC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C27H38N4O3S/c1-5-7-21-8-10-22(11-9-21)27(20(3)4)28-19-26-29-24-18-23(12-13-25(24)31(26)6-2)35(32,33)30-14-16-34-17-15-30/h8-13,18,20,27-28H,5-7,14-17,19H2,1-4H3/p+1/t27-/m1/s1