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

Systemtic Name: (5S)-3-[(2-ethylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Openeye Name: (5S)-3-[(2-ethylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane CAS Name: (5S)-3-[(2-ethyl-5-pyrimidinyl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane IUPAC Name: (5S)-3-[(2-ethylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Traditional Name: (5S)-3-[(2-ethylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Formula: C23H34N4+2 MolecularWeight: 366.54286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CC[C@@]3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4/c1-2-22-24-15-21(16-25-22)17-27-14-11-23(19-27)10-6-12-26(18-23)13-9-20-7-4-3-5-8-20/h3-5,7-8,15-16H,2,6,9-14,17-19H2,1H3/p+2/t23-/m0/s1