[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(1-carbethoxy-4-piperidyl)ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+][C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H28N4O2S/c1-2-26-20(25)23-12-9-15(10-13-23)21-16-6-5-11-24(14-16)19-22-17-7-3-4-8-18(17)27-19/h3-4,7-8,15-16,21H,2,5-6,9-14H2,1H3/p+1/t16-/m0/s1