N-[(4S)-2,2-dimethyloxan-4-yl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(4S)-2,2-dimethyloxan-4-yl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(4S)-2,2-dimethyl-4-oxanyl]-1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4S)-2,2-dimethyloxan-4-yl]-1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H42N4O2+2 MolecularWeight: 430.62658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CCOC(C4)(C)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N[C@H]4CCOC(C4)(C)C

InChI

InChI=1S/C25H40N4O2/c1-19-5-4-6-22(26-19)18-28-12-9-23(10-13-28)29-14-7-20(8-15-29)24(30)27-21-11-16-31-25(2,3)17-21/h4-6,20-21,23H,7-18H2,1-3H3,(H,27,30)/p+2/t21-/m0/s1