[(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(3-methylimidazol-4-yl)methyl]azanium

Systemtic Name: [(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(3-methylimidazol-4-yl)methyl]azanium Openeye Name: [(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(3-methylimidazol-4-yl)methyl]ammonium CAS Name: [(1S)-1-cyclohex-3-enyl]methyl-[3-(1-imidazolyl)propyl]-[(3-methyl-4-imidazolyl)methyl]ammonium IUPAC Name: [(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(3-methylimidazol-4-yl)methyl]azanium Traditional Name: [(1S)-cyclohex-3-en-1-yl]methyl-(3-imidazol-1-ylpropyl)-[(3-methylimidazol-4-yl)methyl]ammonium Formula: C18H28N5+ MolecularWeight: 314.44842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C[NH+](CCCN2C=CN=C2)CC3CCC=CC3

Isomeric SMILES

CN1C=NC=C1C[NH+](CCCN2C=CN=C2)C[C@H]3CCC=CC3

InChI

InChI=1S/C18H27N5/c1-21-15-20-12-18(21)14-23(13-17-6-3-2-4-7-17)10-5-9-22-11-8-19-16-22/h2-3,8,11-12,15-17H,4-7,9-10,13-14H2,1H3/p+1/t17-/m1/s1