N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methylthiazol-5-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-N-[(2-methyl-5-thiazolyl)methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[(2-methylthiazol-5-yl)methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C23H42N4S+2 MolecularWeight: 406.67138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)CN(CC[NH+]2CCCCC2)CC3CCC[NH+](C3)C4CCCC4

Isomeric SMILES

CC1=NC=C(S1)CN(CC[NH+]2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C23H40N4S/c1-20-24-16-23(28-20)19-26(15-14-25-11-5-2-6-12-25)17-21-8-7-13-27(18-21)22-9-3-4-10-22/h16,21-22H,2-15,17-19H2,1H3/p+2/t21-/m1/s1