N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(1-pyrrolidin-1-iumylmethyl)-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carboxamide Formula: C22H32N4OS+2 MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC=C(S2)C(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=NC=C(S2)C(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c27-22(20-15-23-21(28-20)17-25-11-4-5-12-25)24-19-9-6-13-26(16-19)14-10-18-7-2-1-3-8-18/h1-3,7-8,15,19H,4-6,9-14,16-17H2,(H,24,27)/p+2/t19-/m0/s1