N-[2-(cyclohexen-1-yl)ethyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=NC=CN4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=NC=CN4

InChI

InChI=1S/C21H28N4OS/c26-21(24-11-10-16-5-2-1-3-6-16)19-9-8-18(27-19)17-7-4-14-25(17)15-20-22-12-13-23-20/h5,8-9,12-13,17H,1-4,6-7,10-11,14-15H2,(H,22,23)(H,24,26)/p+1/t17-/m1/s1