(3S)-1-[(1-methylimidazol-2-yl)methyl]-3-phenethyl-piperidin-1-ium

Systemtic Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3-phenethyl-piperidin-1-ium Openeye Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3-phenethyl-piperidin-1-ium CAS Name: (3S)-1-[(1-methyl-2-imidazolyl)methyl]-3-phenethylpiperidin-1-ium IUPAC Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3-phenethylpiperidin-1-ium Traditional Name: (3S)-1-[(1-methylimidazol-2-yl)methyl]-3-phenethyl-piperidin-1-ium Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCCC(C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC[C@@H](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H25N3/c1-20-13-11-19-18(20)15-21-12-5-8-17(14-21)10-9-16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3/p+1/t17-/m1/s1