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

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carboxamide CAS Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-2-(1-pyrrolidin-1-iumylmethyl)-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]-2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carboxamide Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)C3=CN=C(S3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=CN=C(S3)C[NH+]4CCCC4

InChI

InChI=1S/C22H30N4O2S/c1-28-19-8-4-6-17(12-19)14-26-11-5-7-18(15-26)24-22(27)20-13-23-21(29-20)16-25-9-2-3-10-25/h4,6,8,12-13,18H,2-3,5,7,9-11,14-16H2,1H3,(H,24,27)/p+2/t18-/m0/s1