1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-cyclohexyl-3-oxidanyl-propan-2-yl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-1-one

Systemtic Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-cyclohexyl-3-oxidanyl-propan-2-yl)-1,2,3,4-tetrazol-1-ium-1-yl]pentan-1-one Openeye Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-[1-(cyclohexylmethyl)-2-hydroxy-ethyl]tetrazol-1-ium-1-yl]pentan-1-one CAS Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-cyclohexyl-3-hydroxypropan-2-yl)-1-tetrazol-1-iumyl]-1-pentanone IUPAC Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-cyclohexyl-3-hydroxypropan-2-yl)tetrazol-1-ium-1-yl]pentan-1-one Traditional Name: 1-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-[1-(cyclohexylmethyl)-2-hydroxy-ethyl]tetrazol-1-ium-1-yl]pentan-1-one Formula: C28H38N5O2+ MolecularWeight: 476.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(CC4CCCCC4)CO

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(CC4CCCCC4)CO

InChI

InChI=1S/C28H38N5O2/c1-2-3-13-27(35)33(24(20-34)18-21-9-5-4-6-10-21)28(30-31-32-33)26-12-8-7-11-25(26)23-16-14-22(19-29)15-17-23/h7-8,11-12,14-17,21,24,34H,2-6,9-10,13,18-20,29H2,1H3/q+1