[3-[1-(4-imidazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium

Systemtic Name: [3-[1-(4-imidazol-1-ylphenyl)carbonylpiperidin-4-yl]oxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-[[1-(4-imidazol-1-ylbenzoyl)-4-piperidyl]oxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-[[1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]oxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-[[1-(4-imidazol-1-ylbenzoyl)-4-piperidyl]oxy]benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C28H31N6O2+ MolecularWeight: 483.58474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CN=C4)CC5=NC=CN=C5

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CN=C4)CC5=NC=CN=C5

InChI

InChI=1S/C28H30N6O2/c1-32(20-24-18-29-11-12-31-24)19-22-3-2-4-27(17-22)36-26-9-14-33(15-10-26)28(35)23-5-7-25(8-6-23)34-16-13-30-21-34/h2-8,11-13,16-18,21,26H,9-10,14-15,19-20H2,1H3/p+1