[(3S)-1-methylpiperidin-1-ium-3-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]-phenethyl-azanium

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]-phenethyl-azanium Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]-phenethyl-ammonium CAS Name: [(3S)-1-methyl-3-piperidin-1-iumyl]methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]-phenethylammonium IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]-phenethylazanium Traditional Name: [(3S)-1-methylpiperidin-1-ium-3-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]-phenethyl-ammonium Formula: C20H32N4+2 MolecularWeight: 328.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+](CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC1=CC(=NN1)C[NH+](CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C20H30N4/c1-17-13-20(22-21-17)16-24(12-10-18-7-4-3-5-8-18)15-19-9-6-11-23(2)14-19/h3-5,7-8,13,19H,6,9-12,14-16H2,1-2H3,(H,21,22)/p+2/t19-/m0/s1