[(3S)-1-[5-(methoxymethyl)thiophen-2-yl]carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[5-(methoxymethyl)thiophen-2-yl]carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[5-(methoxymethyl)thiophene-2-carbonyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[[5-(methoxymethyl)-2-thiophenyl]-oxomethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[5-(methoxymethyl)thiophene-2-carbonyl]-3-piperidyl]-methyl-ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(S3)COC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(S3)COC

InChI

InChI=1S/C20H26N2O2S/c1-21(13-16-7-4-3-5-8-16)17-9-6-12-22(14-17)20(23)19-11-10-18(25-19)15-24-2/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3/p+1/t17-/m0/s1