5-[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-1-ium-2-yl]-N-[(3-methylpyridin-2-yl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-1-ium-2-yl]-N-[(3-methylpyridin-2-yl)methyl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-1-ium-2-yl]-N-[(3-methyl-2-pyridyl)methyl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(E)-4-methylpent-2-enyl]-2-pyrrolidin-1-iumyl]-N-[(3-methyl-2-pyridinyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-1-ium-2-yl]-N-[(3-methylpyridin-2-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-1-ium-2-yl]-N-[(3-methyl-2-pyridyl)methyl]thiophene-2-carboxamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CNC(=O)C2=CC=C(S2)C3CCC[NH+]3CC=CC(C)C

Isomeric SMILES

CC1=C(N=CC=C1)CNC(=O)C2=CC=C(S2)[C@@H]3CCC[NH+]3C/C=C/C(C)C

InChI

InChI=1S/C22H29N3OS/c1-16(2)7-5-13-25-14-6-9-19(25)20-10-11-21(27-20)22(26)24-15-18-17(3)8-4-12-23-18/h4-5,7-8,10-12,16,19H,6,9,13-15H2,1-3H3,(H,24,26)/p+1/b7-5+/t19-/m0/s1