1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: 1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(5-methyl-2-thienyl)methyl]-N-(3-pyridylmethyl)methanamine CAS Name: 1-[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]-N-[(5-methyl-2-thiophenyl)methyl]-N-(3-pyridinylmethyl)methanamine IUPAC Name: 1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-methyl-2-thienyl)methyl]-(3-pyridylmethyl)amine Formula: C24H36N3S+ MolecularWeight: 398.62774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN(C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C24H35N3S/c1-20-11-12-24(28-20)19-26(16-21-7-5-13-25-15-21)17-22-8-6-14-27(18-22)23-9-3-2-4-10-23/h5,7,11-13,15,22-23H,2-4,6,8-10,14,16-19H2,1H3/p+1/t22-/m1/s1