methyl-[(3S)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidyl]-phenethyl-ammonium Formula: C19H30N4+2 MolecularWeight: 314.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CN2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C([NH+]=CN1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

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