N-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C17H25N5O+2 MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=[N+](C=CN2)C)N3CC[NH2+]CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=[N+](C=CN2)C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N5O/c1-13(23)20-15-5-3-14(4-6-15)16(17-19-9-10-21(17)2)22-11-7-18-8-12-22/h3-6,9-10,16,18H,7-8,11-12H2,1-2H3,(H,20,23)/p+2/t16-/m0/s1