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

Systemtic Name: 1-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-4-ium Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC=C2)OC)N3CC[NH2+]CC3

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC=C2)OC)N3CC[NH2+]CC3

InChI

InChI=1S/C16H22N4O/c1-19-9-8-18-16(19)15(20-10-6-17-7-11-20)13-4-3-5-14(12-13)21-2/h3-5,8-9,12,15,17H,6-7,10-11H2,1-2H3/p+2/t15-/m0/s1