(5S)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-9-phenethyl-3,9-diazaspiro[4.5]decane

Systemtic Name: (5S)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-9-phenethyl-3,9-diazaspiro[4.5]decane Openeye Name: (5S)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-9-phenethyl-3,9-diazaspiro[4.5]decane CAS Name: (5S)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-9-phenethyl-3,9-diazaspiro[4.5]decane IUPAC Name: (5S)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-9-phenethyl-3,9-diazaspiro[4.5]decane Traditional Name: (5S)-3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-9-phenethyl-3,9-diazaspiro[4.5]decane Formula: C21H31N4+ MolecularWeight: 339.49764

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CCC3(C2)CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CC[C@@]3(C2)CCCN(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+1/t21-/m0/s1