[(2S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(7-chloropiperonyloyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C18H20ClN2O3+ MolecularWeight: 347.816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H19ClN2O3/c1-21(2)10-15(12-6-4-3-5-7-12)20-18(22)13-8-14(19)17-16(9-13)23-11-24-17/h3-9,15H,10-11H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1