1-[(4-isocyanatophenyl)methyl]piperidin-1-ium

Systemtic Name: 1-[(4-isocyanatophenyl)methyl]piperidin-1-ium Openeye Name: 1-[(4-isocyanatophenyl)methyl]piperidin-1-ium CAS Name: 1-[(4-isocyanatophenyl)methyl]piperidin-1-ium IUPAC Name: 1-[(4-isocyanatophenyl)methyl]piperidin-1-ium Traditional Name: 1-(4-isocyanatobenzyl)piperidin-1-ium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)N=C=O

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)N=C=O

InChI

InChI=1S/C13H16N2O/c16-11-14-13-6-4-12(5-7-13)10-15-8-2-1-3-9-15/h4-7H,1-3,8-10H2/p+1