5-methyl-4-propan-2-yl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 5-methyl-4-propan-2-yl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-isopropyl-5-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 5-methyl-4-propan-2-yl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 5-methyl-4-propan-2-yl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-isopropyl-5-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C20H27N3O/c1-15(2)18-13-17(19(24)12-16(18)3)14-22-8-10-23(11-9-22)20-6-4-5-7-21-20/h4-7,12-13,15,24H,8-11,14H2,1-3H3/p+2