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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-isopropyl-5-methyl-phenol CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-isopropyl-5-methyl-phenol Formula: C28H35N2O+ MolecularWeight: 415.5903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H34N2O/c1-21(2)26-19-25(27(31)18-22(26)3)20-29-14-16-30(17-15-29)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,18-19,21,28,31H,14-17,20H2,1-3H3/p+1