[(3S)-1-[1-(dimethylcarbamoyl)piperidin-4-yl]carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[1-(dimethylcarbamoyl)piperidin-4-yl]carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[[1-[dimethylamino(oxo)methyl]-4-piperidinyl]-oxomethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[1-(dimethylcarbamoyl)isonipecotoyl]-3-piperidyl]-methyl-ammonium Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3CCN(CC3)C(=O)N(C)C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3CCN(CC3)C(=O)N(C)C

InChI

InChI=1S/C22H34N4O2/c1-23(2)22(28)25-14-11-19(12-15-25)21(27)26-13-7-10-20(17-26)24(3)16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3/p+1/t20-/m0/s1