methyl-[(3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-phenethyl-ammonium Formula: C19H30N4+2 MolecularWeight: 314.4683

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C19H28N4/c1-21(13-10-17-7-4-3-5-8-17)18-9-6-12-23(15-18)16-19-20-11-14-22(19)2/h3-5,7-8,11,14,18H,6,9-10,12-13,15-16H2,1-2H3/p+2/t18-/m0/s1