ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]-3-piperidyl]ammonium CAS Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[(2-pyrrolidinothiazol-5-yl)methyl]-3-piperidyl]ammonium Formula: C21H32N5S+ MolecularWeight: 386.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)CC3=CN=C(S3)N4CCCC4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)CC3=CN=C(S3)N4CCCC4

InChI

InChI=1S/C21H31N5S/c1-2-25(15-18-7-9-22-10-8-18)19-6-5-11-24(16-19)17-20-14-23-21(27-20)26-12-3-4-13-26/h7-10,14,19H,2-6,11-13,15-17H2,1H3/p+1/t19-/m0/s1