[4-(4-oxidanylbut-1-ynyl)phenyl]methyl-[(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methyl]azanium

Systemtic Name: [4-(4-oxidanylbut-1-ynyl)phenyl]methyl-[(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methyl]azanium Openeye Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-[[2-(1-piperidyl)indan-2-yl]methyl]ammonium CAS Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-[[2-(1-piperidinyl)-1,3-dihydroinden-2-yl]methyl]ammonium IUPAC Name: [4-(4-hydroxybut-1-ynyl)phenyl]methyl-[(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methyl]azanium Traditional Name: [4-(4-hydroxybut-1-ynyl)benzyl]-[(2-piperidinoindan-2-yl)methyl]ammonium Formula: C26H33N2O+ MolecularWeight: 389.55302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CC3=CC=CC=C3C2)C[NH2+]CC4=CC=C(C=C4)C#CCCO

Isomeric SMILES

C1CCN(CC1)C2(CC3=CC=CC=C3C2)C[NH2+]CC4=CC=C(C=C4)C#CCCO

InChI

InChI=1S/C26H32N2O/c29-17-7-4-8-22-11-13-23(14-12-22)20-27-21-26(28-15-5-1-6-16-28)18-24-9-2-3-10-25(24)19-26/h2-3,9-14,27,29H,1,5-7,15-21H2/p+1