methyl-[(3S)-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-phenethylazanium Traditional Name: methyl-[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-piperidyl]-phenethyl-ammonium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C20H25N3O2/c1-21(14-11-17-7-3-2-4-8-17)19-10-6-12-22(16-19)20(24)18-9-5-13-23(25)15-18/h2-5,7-9,13,15,19H,6,10-12,14,16H2,1H3/p+1/t19-/m0/s1