(5S)-3-[(1-methylimidazol-2-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane

Systemtic Name: (5S)-3-[(1-methylimidazol-2-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Openeye Name: (5S)-3-[(1-methylimidazol-2-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane CAS Name: (5S)-3-[(1-methyl-2-imidazolyl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane IUPAC Name: (5S)-3-[(1-methylimidazol-2-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Traditional Name: (5S)-3-[(1-methylimidazol-2-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Formula: C21H32N4+2 MolecularWeight: 340.50558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCC3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C[NH+]2CC[C@@]3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H30N4/c1-23-15-11-22-20(23)16-25-14-10-21(18-25)9-5-12-24(17-21)13-8-19-6-3-2-4-7-19/h2-4,6-7,11,15H,5,8-10,12-14,16-18H2,1H3/p+2/t21-/m0/s1