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

Systemtic Name: [(3S)-1-[5-(methoxymethyl)thiophen-2-yl]carbonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[5-(methoxymethyl)thiophene-2-carbonyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[[5-(methoxymethyl)-2-thiophenyl]-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[5-(methoxymethyl)thiophene-2-carbonyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(S3)COC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(S3)COC

InChI

InChI=1S/C21H28N2O2S/c1-22(14-12-17-7-4-3-5-8-17)18-9-6-13-23(15-18)21(24)20-11-10-19(26-20)16-25-2/h3-5,7-8,10-11,18H,6,9,12-16H2,1-2H3/p+1/t18-/m0/s1