N-[4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(S)-(1-methyl-2-benzimidazolyl)-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C21H26N5O+ MolecularWeight: 364.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2C)N4CC[NH2+]CC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=NC3=CC=CC=C3N2C)N4CC[NH2+]CC4

InChI

InChI=1S/C21H25N5O/c1-15(27)23-17-9-7-16(8-10-17)20(26-13-11-22-12-14-26)21-24-18-5-3-4-6-19(18)25(21)2/h3-10,20,22H,11-14H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1