ethyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[[2-(methylthio)anilino]-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[(2-methylsulfanylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[[2-(methylthio)phenyl]carbamoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H28N4OS/c1-3-24(15-17-10-12-22-13-11-17)18-7-6-14-25(16-18)21(26)23-19-8-4-5-9-20(19)27-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1