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

Systemtic Name: ethyl-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[(4-isopropylthiazol-2-yl)methyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[(4-isopropylthiazol-2-yl)methyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C20H31N4S+ MolecularWeight: 359.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)CC3=NC(=CS3)C(C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)CC3=NC(=CS3)C(C)C

InChI

InChI=1S/C20H30N4S/c1-4-24(12-17-7-9-21-10-8-17)18-6-5-11-23(13-18)14-20-22-19(15-25-20)16(2)3/h7-10,15-16,18H,4-6,11-14H2,1-3H3/p+1/t18-/m0/s1