N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C22H23BrN3O2S+ MolecularWeight: 473.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2S/c23-19-7-3-16(4-8-19)13-20-14-24-22(29-20)25-21(27)18-5-1-17(2-6-18)15-26-9-11-28-12-10-26/h1-8,14H,9-13,15H2,(H,24,25,27)/p+1