methyl-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-[(3S)-1-phenethylpiperidin-3-yl]azanium

Systemtic Name: methyl-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-[(3S)-1-phenethylpiperidin-3-yl]azanium Openeye Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium CAS Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-methyl-[(3S)-1-phenethyl-3-piperidinyl]ammonium IUPAC Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Traditional Name: [4-(4-hydroxybut-1-ynyl)benzyl]-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium Formula: C25H33N2O+ MolecularWeight: 377.54232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C#CCCO)C2CCCN(C2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C#CCCO)[C@H]2CCCN(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O/c1-26(20-24-14-12-23(13-15-24)10-5-6-19-28)25-11-7-17-27(21-25)18-16-22-8-3-2-4-9-22/h2-4,8-9,12-15,25,28H,6-7,11,16-21H2,1H3/p+1/t25-/m0/s1