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

Systemtic Name: 5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-yl-phenol Openeye Name: 4-isopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 5-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-propan-2-ylphenol IUPAC Name: 5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-16(2)20-14-18(21(24)13-17(20)3)15-22-9-11-23(12-10-22)19-7-5-4-6-8-19/h4-8,13-14,16,24H,9-12,15H2,1-3H3/p+1