1-[(S)-(5-chloranyl-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine

Systemtic Name: 1-[(S)-(5-chloranyl-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine Openeye Name: 1-[(S)-(5-chloro-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine CAS Name: 1-[(S)-(5-chloro-2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine IUPAC Name: 1-[(S)-(5-chloro-2-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine Traditional Name: 1-[(S)-(5-chloro-2-methoxy-phenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine Formula: C16H22ClN4O+ MolecularWeight: 321.82508

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCNCC3

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=C(C=CC(=C2)Cl)OC)N3CCNCC3

InChI

InChI=1S/C16H21ClN4O/c1-20-8-7-19-16(20)15(21-9-5-18-6-10-21)13-11-12(17)3-4-14(13)22-2/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3/p+1/t15-/m0/s1