N-[(1-ethylpyrrolidin-2-yl)methyl]-4-imidazol-1-yl-benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-imidazol-1-yl-benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-imidazol-1-yl-benzamide; 4-methylbenzenesulfonic acid CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(1-imidazolyl)benzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-imidazol-1-ylbenzamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-imidazol-1-yl-benzamide; tosylic acid Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC=C(C=C2)N3C=CN=C3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC=C(C=C2)N3C=CN=C3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H22N4O.C7H8O3S/c1-2-20-10-3-4-16(20)12-19-17(22)14-5-7-15(8-6-14)21-11-9-18-13-21;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,11,13,16H,2-4,10,12H2,1H3,(H,19,22);2-5H,1H3,(H,8,9,10)