4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-4-oxidanyl-piperazin-4-ium-2-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-4-oxidanyl-piperazin-4-ium-2-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-4-hydroxy-piperazin-4-ium-2-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-4-hydroxy-2-piperazin-4-iumcarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-4-hydroxypiperazin-4-ium-2-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-4-hydroxy-piperazin-4-ium-2-carbonitrile Formula: C13H18ClN4O2+ MolecularWeight: 297.76062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN[N+]2(CCNC(C2)C#N)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN[N+]2(CCNC(C2)C#N)O)Cl

InChI

InChI=1S/C13H18ClN4O2/c1-20-13-3-2-10(6-12(13)14)8-17-18(19)5-4-16-11(7-15)9-18/h2-3,6,11,16-17,19H,4-5,8-9H2,1H3/q+1