[4-[(4-propan-2-ylphenoxy)methyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-propan-2-ylphenoxy)methyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(4-isopropylphenoxy)methyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(4-propan-2-ylphenoxy)methyl]phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-[(4-propan-2-ylphenoxy)methyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(4-isopropylphenoxy)methyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H29N3O2/c1-20(2)22-10-12-24(13-11-22)31-19-21-6-8-23(9-7-21)26(30)29-17-15-28(16-18-29)25-5-3-4-14-27-25/h3-14,20H,15-19H2,1-2H3/p+1